2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide

C16H17N3O4 — CID 177077740

IUPAC2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
SMILESCOc1cc(C(N)=O)c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C16H17N3O4/c1-22-14-9-12(15(17)20)11-8-10(2-3-13(11)18-14)16(21)19-4-6-23-7-5-19/h2-3,8-9H,4-7H2,1H3,(H2,17,20)
InChIKeyBSCQBFCBPRZRPC-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.81
Rot. Bonds3

About 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide

2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide (PubChem CID 177077740) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
PubChem CID177077740
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide
SMILESCOc1cc(C(N)=O)c2cc(C(=O)N3CCOCC3)ccc2n1
InChIInChI=1S/C16H17N3O4/c1-22-14-9-12(15(17)20)11-8-10(2-3-13(11)18-14)16(21)19-4-6-23-7-5-19/h2-3,8-9H,4-7H2,1H3,(H2,17,20)
InChIKeyBSCQBFCBPRZRPC-UHFFFAOYSA-N
XLogP0.81
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carbonitrile
CID 177077639
1-[4-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]piperazin-1-yl]ethanone
CID 177077574
(4-azido-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077562
(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077600
(2-methoxy-1,3-benzothiazol-6-yl)-morpholin-4-ylmethanone
CID 177077642
[2-methoxy-4-[3-(1-tritylpyrazol-4-yl)phenyl]quinolin-6-yl]-morpholin-4-ylmethanone
CID 177077621
6-[2-methoxy-6-(morpholine-4-carbonyl)quinolin-4-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 177077561
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
methyl 2-(carbamothioylamino)-4-(morpholine-4-carbonyl)benzoate
CID 169358231
[4-chloro-2-(hydroxymethyl)quinolin-6-yl]-morpholin-4-ylmethanone
CID 167445629
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide?
The IUPAC name of 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide (CID 177077740) is 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide?
The canonical SMILES for 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide is COc1cc(C(N)=O)c2cc(C(=O)N3CCOCC3)ccc2n1.
What is the InChIKey of 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide?
The InChIKey is BSCQBFCBPRZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-22-14-9-12(15(17)20)11-8-10(2-3-13(11)18-14)16(21)19-4-6-23-7-5-19/h2-3,8-9H,4-7H2,1H3,(H2,17,20).
What are the key properties of 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide?
2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(morpholine-4-carbonyl)quinoline-4-carboxamide is sourced from PubChem (CID 177077740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).