N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide

C30H34N2O2 — CID 10026999

IUPACN-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide
SMILESO=C(NCCCCN1CCCC2c3ccc(O)cc3CCC21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H34N2O2/c33-26-15-16-27-25(21-26)14-17-29-28(27)9-6-20-32(29)19-5-4-18-31-30(34)24-12-10-23(11-13-24)22-7-2-1-3-8-22/h1-3,7-8,10-13,15-16,21,28-29,33H,4-6,9,14,17-20H2,(H,31,34)
InChIKeyXFYCKARBUDZUAB-UHFFFAOYSA-N
MW454.61 g/mol
LogP5.76
Rot. Bonds7

About N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide

N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide (PubChem CID 10026999) has the molecular formula C30H34N2O2 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide
PubChem CID10026999
Molecular FormulaC30H34N2O2
Molecular Weight454.61 g/mol
Exact Mass454.26
IUPAC NameN-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide
SMILESO=C(NCCCCN1CCCC2c3ccc(O)cc3CCC21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H34N2O2/c33-26-15-16-27-25(21-26)14-17-29-28(27)9-6-20-32(29)19-5-4-18-31-30(34)24-12-10-23(11-13-24)22-7-2-1-3-8-22/h1-3,7-8,10-13,15-16,21,28-29,33H,4-6,9,14,17-20H2,(H,31,34)
InChIKeyXFYCKARBUDZUAB-UHFFFAOYSA-N
XLogP5.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.61
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide with MolForge

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Related Compounds

N-[4-[(4aR,10bS)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]butyl]-4-phenylbenzamide
CID 54162462
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[2-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 10622315
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
N-[4-(2-methylpiperidin-1-yl)butyl]naphthalene-2-carboxamide
CID 51115795
N-[4-[[(2R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-methylamino]butyl]-4-pyridin-3-ylbenzamide
CID 18396595
(2R)-N,N-dimethyl-1-[3-[(4-methylbenzoyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95303248
N-[4-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-phenylbenzamide
CID 18797048
(2R)-1-[3-[(4-chlorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 52860378
N-butyl-4-phenylbenzamide
CID 3637649
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 92767994

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide?
The IUPAC name of N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide (CID 10026999) is N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide is O=C(NCCCCN1CCCC2c3ccc(O)cc3CCC21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide?
The InChIKey is XFYCKARBUDZUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O2/c33-26-15-16-27-25(21-26)14-17-29-28(27)9-6-20-32(29)19-5-4-18-31-30(34)24-12-10-23(11-13-24)22-7-2-1-3-8-22/h1-3,7-8,10-13,15-16,21,28-29,33H,4-6,9,14,17-20H2,(H,31,34).
What are the key properties of N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide?
N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide has a molecular weight of 454.61 g/mol, XLogP of 5.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-hydroxy-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl)butyl]-4-phenylbenzamide is sourced from PubChem (CID 10026999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).