N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine

C20H27N3O — CID 144970638

IUPACN-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine
SMILESCOc1cccc2c(N3CCCC3)cc(NC3CCCCC3)nc12
InChIInChI=1S/C20H27N3O/c1-24-18-11-7-10-16-17(23-12-5-6-13-23)14-19(22-20(16)18)21-15-8-3-2-4-9-15/h7,10-11,14-15H,2-6,8-9,12-13H2,1H3,(H,21,22)
InChIKeyYVMNUGQXXWRJHZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.59
Rot. Bonds4

About N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine

N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine (PubChem CID 144970638) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine
PubChem CID144970638
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine
SMILESCOc1cccc2c(N3CCCC3)cc(NC3CCCCC3)nc12
InChIInChI=1S/C20H27N3O/c1-24-18-11-7-10-16-17(23-12-5-6-13-23)14-19(22-20(16)18)21-15-8-3-2-4-9-15/h7,10-11,14-15H,2-6,8-9,12-13H2,1H3,(H,21,22)
InChIKeyYVMNUGQXXWRJHZ-UHFFFAOYSA-N
XLogP4.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-1-N,2-N-bis(8-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
CID 118548103
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884797
2-N-cyclohexyl-8-methoxy-4-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67718532
4-N-cyclohexyl-8-methoxy-2-N-phenylquinazoline-2,4-diamine;hydrochloride
CID 67720850
8-methoxy-5-piperidin-1-ylquinoline
CID 86218648
N-cyclohexyl-4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbothioamide
CID 108783044
N-cyclopropyl-8-methoxyquinolin-2-amine
CID 84621892
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
8-methoxy-2-methyl-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 133388481
N-cyclopentyl-2-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 112868596
cyclopentane;trans-(1R,2R)-1-N,2-N-bis(4-chloro-7-methoxyquinolin-2-yl)cyclohexane-1,2-diamine;trans-(1R,2R)-1-N,2-N-bis(7-methoxy-4-pyrrolidin-1-ylquinolin-2-yl)cyclohexane-1,2-diamine
CID 159522767
5-[4-(8-methoxy-2-methylquinolin-4-yl)-1,4-diazepan-1-yl]-3-methyl-1,2,4-thiadiazole
CID 133368334

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine?
The IUPAC name of N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine (CID 144970638) is N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine.
What is the SMILES notation for N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine?
The canonical SMILES for N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine is COc1cccc2c(N3CCCC3)cc(NC3CCCCC3)nc12.
What is the InChIKey of N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine?
The InChIKey is YVMNUGQXXWRJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-24-18-11-7-10-16-17(23-12-5-6-13-23)14-19(22-20(16)18)21-15-8-3-2-4-9-15/h7,10-11,14-15H,2-6,8-9,12-13H2,1H3,(H,21,22).
What are the key properties of N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine?
N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine has a molecular weight of 325.46 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-methoxy-4-pyrrolidin-1-ylquinolin-2-amine is sourced from PubChem (CID 144970638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).