(2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C23H28N2O2 — CID 166091417

IUPAC(2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C(CC1CCC1)=C(\C=C/C)C(=O)Nc1cc(C)c2c(c1)CCC(=O)N2
InChIInChI=1S/C23H28N2O2/c1-4-7-20(17(5-2)13-16-8-6-9-16)23(27)24-19-12-15(3)22-18(14-19)10-11-21(26)25-22/h4-5,7,12,14,16H,2,6,8-11,13H2,1,3H3,(H,24,27)(H,25,26)/b7-4-,20-17-
InChIKeyBYLQPXDGTHMBMN-OXPAGPQXSA-N
MW364.49 g/mol
LogP5.07
Rot. Bonds6

About (2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

(2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 166091417) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID166091417
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C(CC1CCC1)=C(\C=C/C)C(=O)Nc1cc(C)c2c(c1)CCC(=O)N2
InChIInChI=1S/C23H28N2O2/c1-4-7-20(17(5-2)13-16-8-6-9-16)23(27)24-19-12-15(3)22-18(14-19)10-11-21(26)25-22/h4-5,7,12,14,16H,2,6,8-11,13H2,1,3H3,(H,24,27)(H,25,26)/b7-4-,20-17-
InChIKeyBYLQPXDGTHMBMN-OXPAGPQXSA-N
XLogP5.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E)-N-(8-chloro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)penta-2,4-dienamide
CID 166091593
(E)-N-(7,8-difluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-ethenyl-5,5-difluoro-2-[(Z)-prop-1-enyl]hex-2-enamide
CID 166091650
3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide
CID 166091380
8-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 11106499
8-(cyclopentylmethyl)-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587658
N-(6-methyl-2-oxo-3,4-dihydro-1H-quinolin-8-yl)formamide
CID 168651382
N'-(3,4-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490629
8-(3-hydroxypropoxy)-6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 59150166
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
4-[methyl(prop-2-enoyl)amino]-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)benzamide
CID 166413864
7,8-difluoro-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 166091425
5-hydroxy-6,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 15650363

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 166091417) is (2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=C/C(CC1CCC1)=C(\C=C/C)C(=O)Nc1cc(C)c2c(c1)CCC(=O)N2.
What is the InChIKey of (2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is BYLQPXDGTHMBMN-OXPAGPQXSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-7-20(17(5-2)13-16-8-6-9-16)23(27)24-19-12-15(3)22-18(14-19)10-11-21(26)25-22/h4-5,7,12,14,16H,2,6,8-11,13H2,1,3H3,(H,24,27)(H,25,26)/b7-4-,20-17-.
What are the key properties of (2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
(2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 364.49 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(cyclobutylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 166091417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).