8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide

C31H29N5O4 — CID 174777313

IUPAC8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide
SMILESNC(=O)c1ccc2cccnc2c1.O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H21N3O3.C10H8N2O/c25-20-18(8-5-16-2-1-9-22-19(16)20)21(26)23-14-15-3-6-17(7-4-15)24-10-12-27-13-11-24;11-10(13)8-4-3-7-2-1-5-12-9(7)6-8/h1-9,25H,10-14H2,(H,23,26);1-6H,(H2,11,13)
InChIKeyWHMUBLIKZFNUKK-UHFFFAOYSA-N
MW535.60 g/mol
LogP4.04
Rot. Bonds5

About 8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide

8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide (PubChem CID 174777313) has the molecular formula C31H29N5O4 and a molecular weight of 535.60 g/mol. Its IUPAC name is 8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide.

Molecular Properties

Compound Name8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide
PubChem CID174777313
Molecular FormulaC31H29N5O4
Molecular Weight535.60 g/mol
Exact Mass535.22
IUPAC Name8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide
SMILESNC(=O)c1ccc2cccnc2c1.O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H21N3O3.C10H8N2O/c25-20-18(8-5-16-2-1-9-22-19(16)20)21(26)23-14-15-3-6-17(7-4-15)24-10-12-27-13-11-24;11-10(13)8-4-3-7-2-1-5-12-9(7)6-8/h1-9,25H,10-14H2,(H,23,26);1-6H,(H2,11,13)
InChIKeyWHMUBLIKZFNUKK-UHFFFAOYSA-N
XLogP4.04
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.60
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide
CID 53302491
(4-chlorophenyl)methanamine;N-[(4-chlorophenyl)methyl]-8-hydroxyquinoline-7-carboxamide;8-hydroxyquinoline-7-carboxylic acid
CID 159537945
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86830423
N-[(4-morpholin-4-ylphenyl)methyl]-1-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162992
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]quinoline-7-carboxamide
CID 18372541
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 6072663
N-[(4-fluorophenyl)methyl]-3-hydroxy-7-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide
CID 54732406
8-hydroxy-N-(pyridin-2-ylmethyl)quinoline-7-carboxamide
CID 53302604
2-morpholin-4-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 25486327
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide
CID 26977124

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide?
The IUPAC name of 8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide (CID 174777313) is 8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide.
What is the SMILES notation for 8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide?
The canonical SMILES for 8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide is NC(=O)c1ccc2cccnc2c1.O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of 8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide?
The InChIKey is WHMUBLIKZFNUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3.C10H8N2O/c25-20-18(8-5-16-2-1-9-22-19(16)20)21(26)23-14-15-3-6-17(7-4-15)24-10-12-27-13-11-24;11-10(13)8-4-3-7-2-1-5-12-9(7)6-8/h1-9,25H,10-14H2,(H,23,26);1-6H,(H2,11,13).
What are the key properties of 8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide?
8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide has a molecular weight of 535.60 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N-[(4-morpholin-4-ylphenyl)methyl]quinoline-7-carboxamide;quinoline-7-carboxamide is sourced from PubChem (CID 174777313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).