[1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium

C20H27N2O4+ — CID 134852991

IUPAC[1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium
SMILES[H]/[O+]=C(\CCC)C(C)C(=O)Nc1cc(O)cc2[nH]c(=O)c(C)c(CCC)c12
InChIInChI=1S/C20H26N2O4/c1-5-7-14-11(3)19(25)21-15-9-13(23)10-16(18(14)15)22-20(26)12(4)17(24)8-6-2/h9-10,12,23H,5-8H2,1-4H3,(H,21,25)(H,22,26)/p+1
InChIKeyAZKYUDBWUMDDPV-UHFFFAOYSA-O
MW359.45 g/mol
LogP3.41
Rot. Bonds7

About [1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium

[1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium (PubChem CID 134852991) has the molecular formula C20H27N2O4+ and a molecular weight of 359.45 g/mol. Its IUPAC name is [1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium.

Molecular Properties

Compound Name[1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium
PubChem CID134852991
Molecular FormulaC20H27N2O4+
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name[1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium
SMILES[H]/[O+]=C(\CCC)C(C)C(=O)Nc1cc(O)cc2[nH]c(=O)c(C)c(CCC)c12
InChIInChI=1S/C20H26N2O4/c1-5-7-14-11(3)19(25)21-15-9-13(23)10-16(18(14)15)22-20(26)12(4)17(24)8-6-2/h9-10,12,23H,5-8H2,1-4H3,(H,21,25)(H,22,26)/p+1
InChIKeyAZKYUDBWUMDDPV-UHFFFAOYSA-O
XLogP3.41
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

7-Hydroxy-3,4-dihydrocarbostyril
CID 2785758
2(1H)-Quinolone, 7-hydroxy-4-methyl-
CID 5374442
4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54683801
7-Hydroxycarbostyril
CID 10975787
4,7-dihydroxy-3-phenyl-1H-quinolin-2-one
CID 125483873
1-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54686113
4-hydroxy-N-(3-hydroxyphenyl)-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54713264
4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 154699823
3-heptyl-7-hydroxy-2-methyl-1H-quinolin-4-one
CID 46234527
3-ethyl-4,7-dihydroxy-1H-quinolin-2-one
CID 134815930
4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydroquinoline-3-carboxamide
CID 54676443
5-Hydroxy-4-methylquinolin-2(1H)-one
CID 5374441

Frequently Asked Questions

What is the IUPAC name of [1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium?
The IUPAC name of [1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium (CID 134852991) is [1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium.
What is the SMILES notation for [1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium?
The canonical SMILES for [1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium is [H]/[O+]=C(\CCC)C(C)C(=O)Nc1cc(O)cc2[nH]c(=O)c(C)c(CCC)c12.
What is the InChIKey of [1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium?
The InChIKey is AZKYUDBWUMDDPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H26N2O4/c1-5-7-14-11(3)19(25)21-15-9-13(23)10-16(18(14)15)22-20(26)12(4)17(24)8-6-2/h9-10,12,23H,5-8H2,1-4H3,(H,21,25)(H,22,26)/p+1.
What are the key properties of [1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium?
[1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium has a molecular weight of 359.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(7-hydroxy-3-methyl-2-oxo-4-propyl-1H-quinolin-5-yl)amino]-2-methyl-1-oxohexan-3-ylidene]oxidanium is sourced from PubChem (CID 134852991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).