2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide

C20H17BrN2O — CID 95756265

IUPAC2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C20H17BrN2O/c21-15-5-3-4-14(10-15)19-11-17(20(24)22-12-13-8-9-13)16-6-1-2-7-18(16)23-19/h1-7,10-11,13H,8-9,12H2,(H,22,24)
InChIKeyLUDAMXUNVPKQEG-UHFFFAOYSA-N
MW381.27 g/mol
LogP4.80
Rot. Bonds4

About 2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide

2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide (PubChem CID 95756265) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
PubChem CID95756265
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC Name2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C20H17BrN2O/c21-15-5-3-4-14(10-15)19-11-17(20(24)22-12-13-8-9-13)16-6-1-2-7-18(16)23-19/h1-7,10-11,13H,8-9,12H2,(H,22,24)
InChIKeyLUDAMXUNVPKQEG-UHFFFAOYSA-N
XLogP4.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(3-bromophenyl)quinoline-4-carboxylate
CID 2364327
2-(3-carbamoylphenyl)-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
CID 70991240
N-(azetidin-3-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 162460260
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-[3-[(carbamoylamino)methyl]phenyl]quinoline-4-carboxamide
CID 143825980
[4-[[[2-[4-(aminomethyl)phenyl]quinoline-4-carbonyl]amino]methyl]cyclohexyl]methylcarbamic acid
CID 68875975
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-[3-(methanesulfonamidomethyl)phenyl]-N-[[4-(methylaminomethyl)cyclohexyl]methyl]quinoline-4-carboxamide
CID 70991243
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 18729868

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide (CID 95756265) is 2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide is O=C(NCC1CC1)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide?
The InChIKey is LUDAMXUNVPKQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O/c21-15-5-3-4-14(10-15)19-11-17(20(24)22-12-13-8-9-13)16-6-1-2-7-18(16)23-19/h1-7,10-11,13H,8-9,12H2,(H,22,24).
What are the key properties of 2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide?
2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide has a molecular weight of 381.27 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(cyclopropylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 95756265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).