(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone

C33H32N2O3 — CID 142182814

IUPAC(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCCCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C33H32N2O3/c1-3-4-11-23-21-30(35-27-15-8-5-12-24(27)25-13-6-9-16-28(25)35)26-14-7-10-17-29(26)34(23)33(37)22-18-19-32(38-2)31(36)20-22/h5-10,12-20,23,30,36H,3-4,11,21H2,1-2H3
InChIKeyPBAFAQOXPMFOAM-UHFFFAOYSA-N
MW504.63 g/mol
LogP7.71
Rot. Bonds6

About (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone

(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone (PubChem CID 142182814) has the molecular formula C33H32N2O3 and a molecular weight of 504.63 g/mol. Its IUPAC name is (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
PubChem CID142182814
Molecular FormulaC33H32N2O3
Molecular Weight504.63 g/mol
Exact Mass504.24
IUPAC Name(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCCCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C33H32N2O3/c1-3-4-11-23-21-30(35-27-15-8-5-12-24(27)25-13-6-9-16-28(25)35)26-14-7-10-17-29(26)34(23)33(37)22-18-19-32(38-2)31(36)20-22/h5-10,12-20,23,30,36H,3-4,11,21H2,1-2H3
InChIKeyPBAFAQOXPMFOAM-UHFFFAOYSA-N
XLogP7.71
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4-diethoxyphenyl)methanone
CID 20822826
(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxy-4-methylsulfanylphenyl)methanone
CID 20822827
(4-ethoxy-3-methoxyphenyl)-(4-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 22339201
methyl (2R,4S)-2-butyl-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 10515573
3-[1-(3-hydroxy-4-methoxybenzoyl)-5-oxopyrrolidin-2-yl]propanoic acid
CID 15588884
(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112696542
N-(4-chlorophenyl)-N-ethyl-1-(3-fluoro-4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinoline-4-carboxamide
CID 67165901
N-[(2R,4S)-1-(3-fluoro-4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093020
(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79672567
butyl 3-hydroxy-4-methoxybenzoate
CID 79556295
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114765
[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114767

Frequently Asked Questions

What is the IUPAC name of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone (CID 142182814) is (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone is CCCCC1CC(n2c3ccccc3c3ccccc32)c2ccccc2N1C(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is PBAFAQOXPMFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O3/c1-3-4-11-23-21-30(35-27-15-8-5-12-24(27)25-13-6-9-16-28(25)35)26-14-7-10-17-29(26)34(23)33(37)22-18-19-32(38-2)31(36)20-22/h5-10,12-20,23,30,36H,3-4,11,21H2,1-2H3.
What are the key properties of (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone?
(2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone has a molecular weight of 504.63 g/mol, XLogP of 7.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-4-carbazol-9-yl-3,4-dihydro-2H-quinolin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 142182814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).