1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one

C25H22N2O2 — CID 154464559

IUPAC1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
SMILESCc1cc(-c2ccc3c4c(ccnc24)CCO3)c2ccc(=O)n(CC3CC3)c2c1
InChIInChI=1S/C25H22N2O2/c1-15-12-20(18-5-7-23(28)27(21(18)13-15)14-16-2-3-16)19-4-6-22-24-17(9-11-29-22)8-10-26-25(19)24/h4-8,10,12-13,16H,2-3,9,11,14H2,1H3
InChIKeyNNCDIZCWPATAIS-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.87
Rot. Bonds3

About 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one

1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one (PubChem CID 154464559) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
PubChem CID154464559
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
SMILESCc1cc(-c2ccc3c4c(ccnc24)CCO3)c2ccc(=O)n(CC3CC3)c2c1
InChIInChI=1S/C25H22N2O2/c1-15-12-20(18-5-7-23(28)27(21(18)13-15)14-16-2-3-16)19-4-6-22-24-17(9-11-29-22)8-10-26-25(19)24/h4-8,10,12-13,16H,2-3,9,11,14H2,1H3
InChIKeyNNCDIZCWPATAIS-UHFFFAOYSA-N
XLogP4.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one with MolForge

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Related Compounds

6-ethyl-7-methyl-1-(2-morpholin-4-ylethyl)-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one
CID 134391001
4-[[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-yl]oxymethyl]benzamide
CID 123220229
1-(cyclopropylmethyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1-[(3-methylsulfonylphenyl)methyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-[[3-(trifluoromethyl)phenyl]methoxy]quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 159403498
2-[5-(11-ethoxy-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-10-yl)-7-methyl-2-oxo-1-(pyridin-4-ylmethyl)quinolin-6-yl]acetaldehyde
CID 123807601
N,N-dimethyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-amine
CID 123214625
10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 59606778
10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene
CID 159489420
2-[6-chloro-5-fluoro-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid
CID 123824695
1-[(4-cyclobutylphenyl)methyl]-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;1-[(3,5-dimethoxyphenyl)methyl]-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-one
CID 158678364
2-[4-fluoro-3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]acetic acid
CID 129162966
ethyl (2S)-2-[(2-methylpropan-2-yl)oxy]-2-[10-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)phenanthren-9-yl]acetate
CID 118027241
(2S)-2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-oxo-1-[(4-phenoxyphenyl)methyl]quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;(2S)-2-[8-methyl-6-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)triazolo[1,5-a]quinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 158309644

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one (CID 154464559) is 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one is Cc1cc(-c2ccc3c4c(ccnc24)CCO3)c2ccc(=O)n(CC3CC3)c2c1.
What is the InChIKey of 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one?
The InChIKey is NNCDIZCWPATAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-15-12-20(18-5-7-23(28)27(21(18)13-15)14-16-2-3-16)19-4-6-22-24-17(9-11-29-22)8-10-26-25(19)24/h4-8,10,12-13,16H,2-3,9,11,14H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one?
1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one has a molecular weight of 382.46 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one is sourced from PubChem (CID 154464559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).