benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium

C18H19N2O2+ — CID 7447354

IUPACbenzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCOc1ccc2cc(C[NH2+]Cc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C18H18N2O2/c1-22-16-8-7-14-9-15(18(21)20-17(14)10-16)12-19-11-13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,20,21)/p+1
InChIKeyNDKHGKBLIUQHRS-UHFFFAOYSA-O
MW295.36 g/mol
LogP1.80
Rot. Bonds5

About benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium

benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 7447354) has the molecular formula C18H19N2O2+ and a molecular weight of 295.36 g/mol. Its IUPAC name is benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Namebenzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID7447354
Molecular FormulaC18H19N2O2+
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Namebenzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCOc1ccc2cc(C[NH2+]Cc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C18H18N2O2/c1-22-16-8-7-14-9-15(18(21)20-17(14)10-16)12-19-11-13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,20,21)/p+1
InChIKeyNDKHGKBLIUQHRS-UHFFFAOYSA-O
XLogP1.80
TPSA58.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-dihydroisoindol-2-ylmethyl)-7-methoxy-1H-quinolin-2-one
CID 56702753
benzyl-[(2,5-dimethoxyphenyl)methyl]azanium
CID 6963477
1-benzyl-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7137050
1-benzyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)thiourea
CID 1137517
3-(2-aminobutyl)-7-methoxy-1H-quinolin-2-one;hydrochloride
CID 170889697
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
N-ethyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-phenoxyacetamide
CID 1396367
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110298844
3-acetyl-N-benzyl-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1162466
3-[[benzyl-[(1-tert-butyltetrazol-5-yl)methyl]amino]methyl]-7-methoxy-1H-quinolin-2-one
CID 1171472
1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]-3-[(1R)-1-phenylethyl]thiourea
CID 1141326
butyl-[(2-oxo-1H-quinolin-3-yl)methyl]azanium
CID 2014669

Frequently Asked Questions

What is the IUPAC name of benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium (CID 7447354) is benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium is COc1ccc2cc(C[NH2+]Cc3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is NDKHGKBLIUQHRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H18N2O2/c1-22-16-8-7-14-9-15(18(21)20-17(14)10-16)12-19-11-13-5-3-2-4-6-13/h2-10,19H,11-12H2,1H3,(H,20,21)/p+1.
What are the key properties of benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium?
benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 295.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 7447354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).