cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol

C19H24N4O — CID 166905323

IUPACcis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol
SMILESC=NN/C(=C\C)c1ccc2c(N[C@@H]3CC[C@H](O)C3)cc(C)nc2c1
InChIInChI=1S/C19H24N4O/c1-4-17(23-20-3)13-5-8-16-18(9-12(2)21-19(16)10-13)22-14-6-7-15(24)11-14/h4-5,8-10,14-15,23-24H,3,6-7,11H2,1-2H3,(H,21,22)/b17-4-/t14-,15+/m1/s1
InChIKeyOHQNVEVVZSDPSL-QTZHHJPFSA-N
MW324.43 g/mol
LogP3.43
Rot. Bonds5

About cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol

cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol (PubChem CID 166905323) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol
PubChem CID166905323
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Namecis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol
SMILESC=NN/C(=C\C)c1ccc2c(N[C@@H]3CC[C@H](O)C3)cc(C)nc2c1
InChIInChI=1S/C19H24N4O/c1-4-17(23-20-3)13-5-8-16-18(9-12(2)21-19(16)10-13)22-14-6-7-15(24)11-14/h4-5,8-10,14-15,23-24H,3,6-7,11H2,1-2H3,(H,21,22)/b17-4-/t14-,15+/m1/s1
InChIKeyOHQNVEVVZSDPSL-QTZHHJPFSA-N
XLogP3.43
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-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
3-[(2-methylquinolin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 66032758
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
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
cis-(1R,3S)-3-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 130643849
4-[(6-fluoro-2-methylquinolin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060187
N-(1-tert-butylpiperidin-4-yl)-2-methylquinolin-4-amine
CID 166183861
N-(2-cyclopropyloxan-4-yl)-2-methyl-6-nitroquinolin-4-amine
CID 133473539
2,4-dimethyl-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]quinoline-7-carboxamide
CID 91769351

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol (CID 166905323) is cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol is C=NN/C(=C\C)c1ccc2c(N[C@@H]3CC[C@H](O)C3)cc(C)nc2c1.
What is the InChIKey of cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol?
The InChIKey is OHQNVEVVZSDPSL-QTZHHJPFSA-N. The full InChI is InChI=1S/C19H24N4O/c1-4-17(23-20-3)13-5-8-16-18(9-12(2)21-19(16)10-13)22-14-6-7-15(24)11-14/h4-5,8-10,14-15,23-24H,3,6-7,11H2,1-2H3,(H,21,22)/b17-4-/t14-,15+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol?
cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 324.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[2-methyl-7-[(Z)-1-(2-methylidenehydrazinyl)prop-1-enyl]quinolin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 166905323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).