(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide

C27H24Br2N2O — CID 132555355

IUPAC(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
SMILESC[C@H](c1ccc(Br)cc1)C(C(=O)Nc1cccc2cccnc12)[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C27H24Br2N2O/c1-17(19-8-12-22(28)13-9-19)25(18(2)20-10-14-23(29)15-11-20)27(32)31-24-7-3-5-21-6-4-16-30-26(21)24/h3-18,25H,1-2H3,(H,31,32)/t17-,18+,25?
InChIKeyYGNMQYGMKNOOLH-OXUKXLDXSA-N
MW552.31 g/mol
LogP7.92
Rot. Bonds6

About (3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide

(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide (PubChem CID 132555355) has the molecular formula C27H24Br2N2O and a molecular weight of 552.31 g/mol. Its IUPAC name is (3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide.

Molecular Properties

Compound Name(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
PubChem CID132555355
Molecular FormulaC27H24Br2N2O
Molecular Weight552.31 g/mol
Exact Mass550.03
IUPAC Name(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide
SMILESC[C@H](c1ccc(Br)cc1)C(C(=O)Nc1cccc2cccnc12)[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C27H24Br2N2O/c1-17(19-8-12-22(28)13-9-19)25(18(2)20-10-14-23(29)15-11-20)27(32)31-24-7-3-5-21-6-4-16-30-26(21)24/h3-18,25H,1-2H3,(H,31,32)/t17-,18+,25?
InChIKeyYGNMQYGMKNOOLH-OXUKXLDXSA-N
XLogP7.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.31
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2,3-diphenyl-N-quinolin-8-ylbutanamide
CID 132555346
(2S)-2-amino-3-methyl-N-quinolin-8-ylbutanamide
CID 22690765
(2S)-2-(dimethylamino)-N-quinolin-8-ylpropanamide
CID 59003766
2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide
CID 45153810
N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
CID 134028939
2-[ethoxy(methoxy)methyl]-3-methyl-N-quinolin-8-ylbutanamide
CID 102340503
1-(2-hydroxypropyl)-3-quinolin-8-ylurea
CID 47032842
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
N'-hydroxy-N-[4-[1-oxo-1-(quinolin-8-ylamino)propan-2-yl]phenyl]octanediamide
CID 54674804
4-bromo-N-[2-oxo-2-(quinolin-8-ylamino)ethyl]benzamide
CID 78785378
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-quinolin-8-ylbutanamide
CID 76925148
3-(3,4-dihydroxyphenyl)-2-methyl-N-quinolin-8-ylpropanamide
CID 84578370

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide?
The IUPAC name of (3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide (CID 132555355) is (3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide.
What is the SMILES notation for (3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide?
The canonical SMILES for (3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide is C[C@H](c1ccc(Br)cc1)C(C(=O)Nc1cccc2cccnc12)[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of (3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide?
The InChIKey is YGNMQYGMKNOOLH-OXUKXLDXSA-N. The full InChI is InChI=1S/C27H24Br2N2O/c1-17(19-8-12-22(28)13-9-19)25(18(2)20-10-14-23(29)15-11-20)27(32)31-24-7-3-5-21-6-4-16-30-26(21)24/h3-18,25H,1-2H3,(H,31,32)/t17-,18+,25?.
What are the key properties of (3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide?
(3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide has a molecular weight of 552.31 g/mol, XLogP of 7.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromophenyl)-2-[(1S)-1-(4-bromophenyl)ethyl]-N-quinolin-8-ylbutanamide is sourced from PubChem (CID 132555355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).