5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine

C69H83BrI2N10O12 — CID 167683776

IUPAC5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine
SMILESBrc1cccc2ncccc12.CN1CCC(N)CC1.COC(=O)[C@H]1CN(c2ccc(I)c3ncccc23)C[C@@H](C)O1.COC(=O)[C@H]1CN(c2cccc3ncccc23)C[C@@H](C)O1.COC(=O)[C@H]1CNC[C@@H](C)O1.C[C@@H]1CN(c2ccc(I)c3ncccc23)C[C@H](C(=O)O)O1
InChIInChI=1S/C16H17IN2O3.C16H18N2O3.C15H15IN2O3.C9H6BrN.C7H13NO3.C6H14N2/c1-10-8-19(9-14(22-10)16(20)21-2)13-6-5-12(17)15-11(13)4-3-7-18-15;1-11-9-18(10-15(21-11)16(19)20-2)14-7-3-6-13-12(14)5-4-8-17-13;1-9-7-18(8-13(21-9)15(19)20)12-5-4-11(16)14-10(12)3-2-6-17-14;10-8-4-1-5-9-7(8)3-2-6-11-9;1-5-3-8-4-6(11-5)7(9)10-2;1-8-4-2-6(7)3-5-8/h3-7,10,14H,8-9H2,1-2H3;3-8,11,15H,9-10H2,1-2H3;2-6,9,13H,7-8H2,1H3,(H,19,20);1-6H;5-6,8H,3-4H2,1-2H3;6H,2-5,7H2,1H3/t10-,14-;11-,15-;9-,13-;;5-,6-;/m111.1./s1
InChIKeyVXMQYLPKBAMMMK-ISLUSZSNSA-N
MW1578.19 g/mol
LogP9.70
Rot. Bonds7

About 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine

5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine (PubChem CID 167683776) has the molecular formula C69H83BrI2N10O12 and a molecular weight of 1578.19 g/mol. Its IUPAC name is 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine.

Molecular Properties

Compound Name5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine
PubChem CID167683776
Molecular FormulaC69H83BrI2N10O12
Molecular Weight1578.19 g/mol
Exact Mass1576.35
IUPAC Name5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine
SMILESBrc1cccc2ncccc12.CN1CCC(N)CC1.COC(=O)[C@H]1CN(c2ccc(I)c3ncccc23)C[C@@H](C)O1.COC(=O)[C@H]1CN(c2cccc3ncccc23)C[C@@H](C)O1.COC(=O)[C@H]1CNC[C@@H](C)O1.C[C@@H]1CN(c2ccc(I)c3ncccc23)C[C@H](C(=O)O)O1
InChIInChI=1S/C16H17IN2O3.C16H18N2O3.C15H15IN2O3.C9H6BrN.C7H13NO3.C6H14N2/c1-10-8-19(9-14(22-10)16(20)21-2)13-6-5-12(17)15-11(13)4-3-7-18-15;1-11-9-18(10-15(21-11)16(19)20-2)14-7-3-6-13-12(14)5-4-8-17-13;1-9-7-18(8-13(21-9)15(19)20)12-5-4-11(16)14-10(12)3-2-6-17-14;10-8-4-1-5-9-7(8)3-2-6-11-9;1-5-3-8-4-6(11-5)7(9)10-2;1-8-4-2-6(7)3-5-8/h3-7,10,14H,8-9H2,1-2H3;3-8,11,15H,9-10H2,1-2H3;2-6,9,13H,7-8H2,1H3,(H,19,20);1-6H;5-6,8H,3-4H2,1-2H3;6H,2-5,7H2,1H3/t10-,14-;11-,15-;9-,13-;;5-,6-;/m111.1./s1
InChIKeyVXMQYLPKBAMMMK-ISLUSZSNSA-N
XLogP9.70
TPSA255.69 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001578.19
LogP ≤ 59.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-bromo-7-fluoro-8-methylquinoline;[(2R,6R)-4-(7-fluoro-8-methylquinolin-5-yl)-6-methylmorpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol
CID 157117454
5-bromo-8-methylquinoline;[(2R,6R)-6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methanol;[(2R,6R)-6-methylmorpholin-2-yl]methanol;hydrochloride
CID 157226461
4-bromoquinoline;(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]-2-(quinolin-5-ylamino)butanoic acid;methyl (2S)-2-amino-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]butanoate;methyl (2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]-2-(quinolin-4-ylamino)butanoate
CID 157834993
4-bromoquinoline;(2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]-2-(quinolin-4-ylamino)butanoic acid;methyl (2S)-2-amino-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]butanoate;methyl (2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydroquinolin-2-yl)butyl]amino]-2-(quinolin-4-ylamino)butanoate
CID 160653466
tert-butyl (3R,4S)-3-amino-4-fluoropyrrolidine-1-carboxylate;tert-butyl (3S)-3-fluoro-4-[[(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carbonyl]amino]pyrrolidine-1-carboxylate;(2R,6R)-N-[(4S)-4-fluoropyrrolidin-3-yl]-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxamide;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methane
CID 167541342
(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methyl-N-(1-methylpiperidin-4-yl)morpholine-2-carboxamide;(2R,6R)-4-(8-bromoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;1-methylpiperidin-4-amine
CID 167702253

Frequently Asked Questions

What is the IUPAC name of 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine?
The IUPAC name of 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine (CID 167683776) is 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine.
What is the SMILES notation for 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine?
The canonical SMILES for 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine is Brc1cccc2ncccc12.CN1CCC(N)CC1.COC(=O)[C@H]1CN(c2ccc(I)c3ncccc23)C[C@@H](C)O1.COC(=O)[C@H]1CN(c2cccc3ncccc23)C[C@@H](C)O1.COC(=O)[C@H]1CNC[C@@H](C)O1.C[C@@H]1CN(c2ccc(I)c3ncccc23)C[C@H](C(=O)O)O1.
What is the InChIKey of 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine?
The InChIKey is VXMQYLPKBAMMMK-ISLUSZSNSA-N. The full InChI is InChI=1S/C16H17IN2O3.C16H18N2O3.C15H15IN2O3.C9H6BrN.C7H13NO3.C6H14N2/c1-10-8-19(9-14(22-10)16(20)21-2)13-6-5-12(17)15-11(13)4-3-7-18-15;1-11-9-18(10-15(21-11)16(19)20-2)14-7-3-6-13-12(14)5-4-8-17-13;1-9-7-18(8-13(21-9)15(19)20)12-5-4-11(16)14-10(12)3-2-6-17-14;10-8-4-1-5-9-7(8)3-2-6-11-9;1-5-3-8-4-6(11-5)7(9)10-2;1-8-4-2-6(7)3-5-8/h3-7,10,14H,8-9H2,1-2H3;3-8,11,15H,9-10H2,1-2H3;2-6,9,13H,7-8H2,1H3,(H,19,20);1-6H;5-6,8H,3-4H2,1-2H3;6H,2-5,7H2,1H3/t10-,14-;11-,15-;9-,13-;;5-,6-;/m111.1./s1.
What are the key properties of 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine?
5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine has a molecular weight of 1578.19 g/mol, XLogP of 9.70, 7 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoquinoline;(2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylic acid;methyl (2R,6R)-4-(8-iodoquinolin-5-yl)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methylmorpholine-2-carboxylate;methyl (2R,6R)-6-methyl-4-quinolin-5-ylmorpholine-2-carboxylate;1-methylpiperidin-4-amine is sourced from PubChem (CID 167683776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).