N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide

C22H18N2O4 — CID 146475079

IUPACN-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide
SMILESCOc1cc2cccnc2c(O)c1C(NC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C22H18N2O4/c1-27-17-13-15-9-5-11-23-20(15)21(25)18(17)19(14-7-3-2-4-8-14)24-22(26)16-10-6-12-28-16/h2-13,19,25H,1H3,(H,24,26)
InChIKeyRDNKZUPZYOPKOQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.06
Rot. Bonds5

About N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide

N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide (PubChem CID 146475079) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide
PubChem CID146475079
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide
SMILESCOc1cc2cccnc2c(O)c1C(NC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C22H18N2O4/c1-27-17-13-15-9-5-11-23-20(15)21(25)18(17)19(14-7-3-2-4-8-14)24-22(26)16-10-6-12-28-16/h2-13,19,25H,1H3,(H,24,26)
InChIKeyRDNKZUPZYOPKOQ-UHFFFAOYSA-N
XLogP4.06
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-7-[phenyl-(pyridin-2-ylamino)methyl]quinolin-8-ol
CID 146475138
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
N-[(R)-(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 26434973
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
N-[(R)-(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 1128199
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
N-[2-(4-methoxyphenyl)-1-pyridin-2-ylethyl]furan-2-carboxamide
CID 21157115
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 18200791
7-[(3-chloro-4-methoxyanilino)-(furan-2-yl)methyl]quinolin-8-ol
CID 19233262
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]furan-2-carboxamide
CID 51269162
N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 40938970
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide?
The IUPAC name of N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide (CID 146475079) is N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide is COc1cc2cccnc2c(O)c1C(NC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide?
The InChIKey is RDNKZUPZYOPKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-17-13-15-9-5-11-23-20(15)21(25)18(17)19(14-7-3-2-4-8-14)24-22(26)16-10-6-12-28-16/h2-13,19,25H,1H3,(H,24,26).
What are the key properties of N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide?
N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxy-6-methoxyquinolin-7-yl)-phenylmethyl]furan-2-carboxamide is sourced from PubChem (CID 146475079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).