N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide

C23H26N2O4 — CID 3193952

IUPACN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C23H26N2O4/c1-15-9-10-17-13-18(22(27)24-21(17)16(15)2)14-25(11-6-12-26)23(28)19-7-4-5-8-20(19)29-3/h4-5,7-10,13,26H,6,11-12,14H2,1-3H3,(H,24,27)
InChIKeyASQYSHFMKJKHQE-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.18
Rot. Bonds7

About N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide (PubChem CID 3193952) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide
PubChem CID3193952
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O
InChIInChI=1S/C23H26N2O4/c1-15-9-10-17-13-18(22(27)24-21(17)16(15)2)14-25(11-6-12-26)23(28)19-7-4-5-8-20(19)29-3/h4-5,7-10,13,26H,6,11-12,14H2,1-3H3,(H,24,27)
InChIKeyASQYSHFMKJKHQE-UHFFFAOYSA-N
XLogP3.18
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]-2-methylbenzamide
CID 3193974
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 1453722
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 3193973
N-butyl-2-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 2067764
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 860672
N-(3,4-dimethylphenyl)-2-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1410281
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-ethyl-1-(2-hydroxyethyl)thiourea
CID 3171087
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
CID 652316
2-chloro-N-(3-hydroxypropyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193895
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-hexyl-3-phenylurea
CID 141337922
1-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)-1-(pyridin-3-ylmethyl)urea
CID 5095945
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methylphenyl)methyl]propanamide
CID 1453705

Frequently Asked Questions

What is the IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide?
The IUPAC name of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide (CID 3193952) is N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide.
What is the SMILES notation for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide?
The canonical SMILES for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide is COc1ccccc1C(=O)N(CCCO)Cc1cc2ccc(C)c(C)c2[nH]c1=O.
What is the InChIKey of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide?
The InChIKey is ASQYSHFMKJKHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-9-10-17-13-18(22(27)24-21(17)16(15)2)14-25(11-6-12-26)23(28)19-7-4-5-8-20(19)29-3/h4-5,7-10,13,26H,6,11-12,14H2,1-3H3,(H,24,27).
What are the key properties of N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide?
N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide has a molecular weight of 394.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-hydroxypropyl)-2-methoxybenzamide is sourced from PubChem (CID 3193952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).