7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

C23H34N2O2 — CID 134443286

IUPAC7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCC4CCCCCC4C3)cc2N1
InChIInChI=1S/C23H34N2O2/c26-23-11-9-19-8-10-21(16-22(19)24-23)27-15-5-4-13-25-14-12-18-6-2-1-3-7-20(18)17-25/h8,10,16,18,20H,1-7,9,11-15,17H2,(H,24,26)
InChIKeyZDALADBOPBTMES-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.63
Rot. Bonds6

About 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 134443286) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID134443286
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCC4CCCCCC4C3)cc2N1
InChIInChI=1S/C23H34N2O2/c26-23-11-9-19-8-10-21(16-22(19)24-23)27-15-5-4-13-25-14-12-18-6-2-1-3-7-20(18)17-25/h8,10,16,18,20H,1-7,9,11-15,17H2,(H,24,26)
InChIKeyZDALADBOPBTMES-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

7-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66559778
7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46829776
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
7-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10715828
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-[4-[4-(6-propan-2-yloxycyclohexa-1,3-dien-1-yl)-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 68631748
7-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10598609
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489
7-[4-[4-(4,5-dihydroxy-1,2-benzoxazol-3-yl)piperidin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 140634232
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 11720026
7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 171647773
7-[4-[4-[2-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66633428

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 134443286) is 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2ccc(OCCCCN3CCC4CCCCCC4C3)cc2N1.
What is the InChIKey of 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZDALADBOPBTMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c26-23-11-9-19-8-10-21(16-22(19)24-23)27-15-5-4-13-25-14-12-18-6-2-1-3-7-20(18)17-25/h8,10,16,18,20H,1-7,9,11-15,17H2,(H,24,26).
What are the key properties of 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 370.54 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 134443286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).