2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide

C19H17BrN2O3 — CID 16745861

IUPAC2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(=O)c(O)c(-c3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C19H17BrN2O3/c1-2-8-21-19(25)12-6-7-14-15(10-12)22-16(18(24)17(14)23)11-4-3-5-13(20)9-11/h3-7,9-10,24H,2,8H2,1H3,(H,21,25)(H,22,23)
InChIKeyZCQIFBDQOPZXLU-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.80
Rot. Bonds4

About 2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide

2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide (PubChem CID 16745861) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide
PubChem CID16745861
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide
SMILESCCCNC(=O)c1ccc2c(=O)c(O)c(-c3cccc(Br)c3)[nH]c2c1
InChIInChI=1S/C19H17BrN2O3/c1-2-8-21-19(25)12-6-7-14-15(10-12)22-16(18(24)17(14)23)11-4-3-5-13(20)9-11/h3-7,9-10,24H,2,8H2,1H3,(H,21,25)(H,22,23)
InChIKeyZCQIFBDQOPZXLU-UHFFFAOYSA-N
XLogP3.80
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide
CID 101436689
3-hydroxy-2-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-4-oxo-1H-quinoline-7-carboxamide
CID 16745860
2-(4-chloro-3-nitrophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-6-carboxamide
CID 52912299
2-(4-amino-3,5-dichlorophenyl)-3-hydroxy-N-octyl-4-oxo-1H-quinoline-6-carboxamide
CID 52912386
3-bromo-N-dodecylbenzamide
CID 603918
5-hydroxy-N-propylnaphthalene-2-carboxamide
CID 172677586
3-bromo-N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]benzamide
CID 4140285
6-iodo-9-oxo-N-propyl-10H-acridine-4-carboxamide;hydrochloride
CID 158037327
3-bromo-N-[[4-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 54791512
3-bromo-N-(propylcarbamothioyl)benzamide
CID 54791594
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide (CID 16745861) is 2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide is CCCNC(=O)c1ccc2c(=O)c(O)c(-c3cccc(Br)c3)[nH]c2c1.
What is the InChIKey of 2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
The InChIKey is ZCQIFBDQOPZXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-2-8-21-19(25)12-6-7-14-15(10-12)22-16(18(24)17(14)23)11-4-3-5-13(20)9-11/h3-7,9-10,24H,2,8H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide?
2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-hydroxy-4-oxo-N-propyl-1H-quinoline-7-carboxamide is sourced from PubChem (CID 16745861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).