N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide

C18H22BrN3O — CID 119629461

IUPACN-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCC(C)(C)N
InChIInChI=1S/C18H22BrN3O/c1-10-15(17(23)21-9-18(2,3)20)13-8-12(19)6-7-14(13)22-16(10)11-4-5-11/h6-8,11H,4-5,9,20H2,1-3H3,(H,21,23)
InChIKeyQKILTEHZROAVHI-UHFFFAOYSA-N
MW376.30 g/mol
LogP3.65
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide

N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide (PubChem CID 119629461) has the molecular formula C18H22BrN3O and a molecular weight of 376.30 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide
PubChem CID119629461
Molecular FormulaC18H22BrN3O
Molecular Weight376.30 g/mol
Exact Mass375.09
IUPAC NameN-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide
SMILESCc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCC(C)(C)N
InChIInChI=1S/C18H22BrN3O/c1-10-15(17(23)21-9-18(2,3)20)13-8-12(19)6-7-14(13)22-16(10)11-4-5-11/h6-8,11H,4-5,9,20H2,1-3H3,(H,21,23)
InChIKeyQKILTEHZROAVHI-UHFFFAOYSA-N
XLogP3.65
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

SB 222200
CID 6604009
6-Bromo-2-phenylquinoline-4-carboxamide
CID 2803005
Cambridge id 7007502
CID 753478
2-ethyl-3-methyl-N-(phenylmethyl)quinoline-4-carboxamide
CID 855960
N-(2,3-dimethylcyclohexyl)-2-methylquinoline-4-carboxamide
CID 5002006
6-Bromo-2-methylquinoline-4-carbohydrazide
CID 694035
9-Acridinecarboxamide, 1,2,3,4-tetrahydro-N-(1-methylethyl)-
CID 824113
4-Quinolinecarboxamide,n-cyclopentyl-2-methyl-
CID 757639
6-Bromo-2-cyclopropylquinoline-4-carbohydrazide
CID 779890
N-butyl-2-methylquinoline-4-carboxamide
CID 2108581
6-bromo-N-(oxolan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 551547
2-(4-Bromophenyl)-N-cyclopropyl-4-quinolinecarboxamide
CID 1012197

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide (CID 119629461) is N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide is Cc1c(C2CC2)nc2ccc(Br)cc2c1C(=O)NCC(C)(C)N.
What is the InChIKey of N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide?
The InChIKey is QKILTEHZROAVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O/c1-10-15(17(23)21-9-18(2,3)20)13-8-12(19)6-7-14(13)22-16(10)11-4-5-11/h6-8,11H,4-5,9,20H2,1-3H3,(H,21,23).
What are the key properties of N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide?
N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide has a molecular weight of 376.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-6-bromo-2-cyclopropyl-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 119629461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).