2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol

C18H19N3O — CID 163837920

IUPAC2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol
SMILESCc1cc(NCC2CC2O)c2ccc(C3=CC=NC3)cc2n1
InChIInChI=1S/C18H19N3O/c1-11-6-16(20-10-14-8-18(14)22)15-3-2-12(7-17(15)21-11)13-4-5-19-9-13/h2-7,14,18,22H,8-10H2,1H3,(H,20,21)
InChIKeyVWURMVVOEHXREJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.80
Rot. Bonds4

About 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol

2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol (PubChem CID 163837920) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol
PubChem CID163837920
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol
SMILESCc1cc(NCC2CC2O)c2ccc(C3=CC=NC3)cc2n1
InChIInChI=1S/C18H19N3O/c1-11-6-16(20-10-14-8-18(14)22)15-3-2-12(7-17(15)21-11)13-4-5-19-9-13/h2-7,14,18,22H,8-10H2,1H3,(H,20,21)
InChIKeyVWURMVVOEHXREJ-UHFFFAOYSA-N
XLogP2.80
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol
CID 163671223
4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 159916294
4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 148506480
4-N-(2,2-difluoro-2-pyridin-2-ylethyl)-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 158180198
2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine
CID 133353384
1-[4-amino-7-(2H-pyrrol-3-yl)pyrazolo[3,4-c]quinolin-2-yl]-2-methylpropan-2-ol
CID 158486828
cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol
CID 164982706
N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
CID 106127195
3,3-dimethyl-4-[(2-methylquinolin-4-yl)amino]butan-1-ol
CID 103705273
2-methyl-N-(morpholin-3-ylmethyl)quinolin-4-amine
CID 103549152
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylquinolin-4-amine
CID 60858147
(2R,3R,4S)-2-[[(6-methoxy-2-methylquinolin-4-yl)amino]methyl]pyrrolidine-3,4-diol
CID 166625538

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol?
The IUPAC name of 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol (CID 163837920) is 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol.
What is the SMILES notation for 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol?
The canonical SMILES for 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol is Cc1cc(NCC2CC2O)c2ccc(C3=CC=NC3)cc2n1.
What is the InChIKey of 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol?
The InChIKey is VWURMVVOEHXREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-11-6-16(20-10-14-8-18(14)22)15-3-2-12(7-17(15)21-11)13-4-5-19-9-13/h2-7,14,18,22H,8-10H2,1H3,(H,20,21).
What are the key properties of 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol?
2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol has a molecular weight of 293.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol is sourced from PubChem (CID 163837920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).