trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol

C19H21N3O — CID 163671223

IUPACtrans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol
SMILESCc1cc(N[C@H]2CC[C@H](O)C2)c2ccc(C3=CC=NC3)cc2n1
InChIInChI=1S/C19H21N3O/c1-12-8-18(22-15-3-4-16(23)10-15)17-5-2-13(9-19(17)21-12)14-6-7-20-11-14/h2,5-9,15-16,23H,3-4,10-11H2,1H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyWZOJZFHRJSMHNH-HOTGVXAUSA-N
MW307.40 g/mol
LogP3.34
Rot. Bonds3

About trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol

trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol (PubChem CID 163671223) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol
PubChem CID163671223
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Nametrans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol
SMILESCc1cc(N[C@H]2CC[C@H](O)C2)c2ccc(C3=CC=NC3)cc2n1
InChIInChI=1S/C19H21N3O/c1-12-8-18(22-15-3-4-16(23)10-15)17-5-2-13(9-19(17)21-12)14-6-7-20-11-14/h2,5-9,15-16,23H,3-4,10-11H2,1H3,(H,21,22)/t15-,16-/m0/s1
InChIKeyWZOJZFHRJSMHNH-HOTGVXAUSA-N
XLogP3.34
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

2-[[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]methyl]cyclopropan-1-ol
CID 163837920
4-N-cyclohexyl-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 148506480
cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol
CID 166905323
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
cis-(1R,3R)-3-[[2-amino-7-(2H-pyrrol-3-yl)quinazolin-4-yl]amino]-1-methylcyclopentan-1-ol
CID 164982706
N-cyclopentyl-7-methoxy-2-methylquinolin-4-amine
CID 110432874
2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
2-methyl-4-N-(3-methylcyclopentyl)quinoline-4,6-diamine
CID 114543215
(2S)-1-[[2-amino-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]propan-2-ol;4-N-butyl-7-pyrazol-1-ylquinoline-2,4-diamine;4-[(3-ethyloxetan-3-yl)methoxy]-7-(2H-pyrrol-3-yl)quinolin-2-amine;4-N-[(1R,3R)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine;4-N-[(1R,3S)-3-methylcyclopentyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 167675247
4-N-[(1-methylimidazol-4-yl)methyl]-7-(2H-pyrrol-3-yl)quinoline-2,4-diamine
CID 159916294
2-[4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]cyclohexan-1-ol
CID 133376301
2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 171359188

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol (CID 163671223) is trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol is Cc1cc(N[C@H]2CC[C@H](O)C2)c2ccc(C3=CC=NC3)cc2n1.
What is the InChIKey of trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is WZOJZFHRJSMHNH-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-8-18(22-15-3-4-16(23)10-15)17-5-2-13(9-19(17)21-12)14-6-7-20-11-14/h2,5-9,15-16,23H,3-4,10-11H2,1H3,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol?
trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 307.40 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[[2-methyl-7-(2H-pyrrol-3-yl)quinolin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 163671223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).