N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide

C26H19N3O2 — CID 146474860

IUPACN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2cccnc2c1O)c1cnc2ccccc2c1
InChIInChI=1S/C26H19N3O2/c30-25-21(13-12-18-10-6-14-27-24(18)25)23(17-7-2-1-3-8-17)29-26(31)20-15-19-9-4-5-11-22(19)28-16-20/h1-16,23,30H,(H,29,31)
InChIKeyUXZCLXIOCXAFBR-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.01
Rot. Bonds4

About N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide

N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide (PubChem CID 146474860) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide
PubChem CID146474860
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccc2cccnc2c1O)c1cnc2ccccc2c1
InChIInChI=1S/C26H19N3O2/c30-25-21(13-12-18-10-6-14-27-24(18)25)23(17-7-2-1-3-8-17)29-26(31)20-15-19-9-4-5-11-22(19)28-16-20/h1-16,23,30H,(H,29,31)
InChIKeyUXZCLXIOCXAFBR-UHFFFAOYSA-N
XLogP5.01
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146475092
4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146474891
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
CID 146474984
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 24958912
cadmium;bis(7-[(3-nitroanilino)-phenylmethyl]quinolin-8-ol)
CID 10509772
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
N-[(S)-(4-chlorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 711204
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
4-[(8-hydroxyquinolin-7-yl)-(pyridin-2-ylamino)methyl]-N-methylbenzamide
CID 146475050
N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide (CID 146474860) is N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide is O=C(NC(c1ccccc1)c1ccc2cccnc2c1O)c1cnc2ccccc2c1.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide?
The InChIKey is UXZCLXIOCXAFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c30-25-21(13-12-18-10-6-14-27-24(18)25)23(17-7-2-1-3-8-17)29-26(31)20-15-19-9-4-5-11-22(19)28-16-20/h1-16,23,30H,(H,29,31).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide?
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]quinoline-3-carboxamide is sourced from PubChem (CID 146474860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).