4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid

C20H25N3O5 — CID 175051022

IUPAC4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)NC(=O)C3CCOC3C)c2c(N)c1C(=O)O
InChIInChI=1S/C20H25N3O5/c1-10(22-19(24)13-7-8-27-12(13)3)9-28-15-6-4-5-14-17(15)18(21)16(20(25)26)11(2)23-14/h4-6,10,12-13H,7-9H2,1-3H3,(H2,21,23)(H,22,24)(H,25,26)
InChIKeyQJTBALGIUJZKOI-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.13
Rot. Bonds6

About 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid

4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid (PubChem CID 175051022) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid
PubChem CID175051022
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid
SMILESCc1nc2cccc(OCC(C)NC(=O)C3CCOC3C)c2c(N)c1C(=O)O
InChIInChI=1S/C20H25N3O5/c1-10(22-19(24)13-7-8-27-12(13)3)9-28-15-6-4-5-14-17(15)18(21)16(20(25)26)11(2)23-14/h4-6,10,12-13H,7-9H2,1-3H3,(H2,21,23)(H,22,24)(H,25,26)
InChIKeyQJTBALGIUJZKOI-UHFFFAOYSA-N
XLogP2.13
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid with MolForge

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Related Compounds

4-Amino-5-(3-(isopropylamino)-2,2-dimethyl-3-oxopropoxy)-2-methylquinoline-3-carboxylic acid
CID 66746559
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxamide
CID 10320002
methyl 4-methoxy-3-[(morpholin-4-ylacetyl)amino]-1H-indole-2-carboxylate
CID 664620
methyl 4-methoxy-3-{[2-(4-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
CID 3738009
(2S)-2-[[(1R,4R)-2-[[(2S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopent-2-ene-1-carbonyl]amino]pentanoic acid
CID 11377701
(2S)-2-[[2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]cyclopent-2-ene-1-carbonyl]amino]butanoic acid
CID 16729676
methyl 3-{[(2,6-dimethylmorpholin-4-yl)acetyl]amino}-4-methoxy-1H-indole-2-carboxylate
CID 3716629
methyl 4-methoxy-3-{[3-(4-methylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
CID 664847
(2S)-2-[[(1S,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]cyclopent-2-ene-1-carbonyl]amino]pentanoic acid
CID 11308712
methyl 3-{[3-(3,5-dimethylpiperidin-1-yl)propanoyl]amino}-4-methoxy-1H-indole-2-carboxylate
CID 664364
2-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]benzoic acid
CID 44451101
(2S)-2-[[(1R,4R)-2-[[(1R)-1-[[(1R)-1-cyclohexyl-2-methoxy-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]cyclopent-2-ene-1-carbonyl]amino]butanoic acid
CID 11399968

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid?
The IUPAC name of 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid (CID 175051022) is 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid is Cc1nc2cccc(OCC(C)NC(=O)C3CCOC3C)c2c(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid?
The InChIKey is QJTBALGIUJZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-10(22-19(24)13-7-8-27-12(13)3)9-28-15-6-4-5-14-17(15)18(21)16(20(25)26)11(2)23-14/h4-6,10,12-13H,7-9H2,1-3H3,(H2,21,23)(H,22,24)(H,25,26).
What are the key properties of 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid?
4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-[2-[(2-methyloxolane-3-carbonyl)amino]propoxy]quinoline-3-carboxylic acid is sourced from PubChem (CID 175051022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).