N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine

C22H27N5O — CID 118263799

IUPACN-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
SMILESCc1noc(-c2cc3ccccc3nc2N2CCC(NC3CCCCC3)C2)n1
InChIInChI=1S/C22H27N5O/c1-15-23-22(28-26-15)19-13-16-7-5-6-10-20(16)25-21(19)27-12-11-18(14-27)24-17-8-3-2-4-9-17/h5-7,10,13,17-18,24H,2-4,8-9,11-12,14H2,1H3
InChIKeyLDTPYTDXDPWISM-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.09
Rot. Bonds4

About N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine

N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine (PubChem CID 118263799) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
PubChem CID118263799
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC NameN-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
SMILESCc1noc(-c2cc3ccccc3nc2N2CCC(NC3CCCCC3)C2)n1
InChIInChI=1S/C22H27N5O/c1-15-23-22(28-26-15)19-13-16-7-5-6-10-20(16)25-21(19)27-12-11-18(14-27)24-17-8-3-2-4-9-17/h5-7,10,13,17-18,24H,2-4,8-9,11-12,14H2,1H3
InChIKeyLDTPYTDXDPWISM-UHFFFAOYSA-N
XLogP4.09
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine with MolForge

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Related Compounds

N-cyclohexyl-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine;2-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;2-[[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 158330098
[4-(cyclohexylamino)-1-[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-3-yl]methanol
CID 118263772
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-3-yl)piperidin-4-amine
CID 118263793
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
CID 155563204
1-[6-ethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 118263857
N-cyclopentyl-1-[5,6-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-3-methoxypiperidin-4-amine
CID 118263885
N-cyclohexyl-4-methyl-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 118263814
1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-3-yl)piperidin-4-amine;1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;4-[[1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol;1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-3-yl)piperidin-4-amine;1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine;1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-pentan-3-ylpiperidin-4-amine
CID 160589175
N-cyclohexyl-3-methyl-1-[5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 118263755
(3R,4R)-4-(cyclohexylamino)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]piperidin-3-ol
CID 118264136
3-methoxy-N-(2-methylcyclohexyl)-1-[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 129253353
[(Z)-N-(1-aminoethyl)-C-[2-[3-(cyclohexylamino)pyrrolidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
CID 144575409

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine?
The IUPAC name of N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine (CID 118263799) is N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine is Cc1noc(-c2cc3ccccc3nc2N2CCC(NC3CCCCC3)C2)n1.
What is the InChIKey of N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine?
The InChIKey is LDTPYTDXDPWISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-23-22(28-26-15)19-13-16-7-5-6-10-20(16)25-21(19)27-12-11-18(14-27)24-17-8-3-2-4-9-17/h5-7,10,13,17-18,24H,2-4,8-9,11-12,14H2,1H3.
What are the key properties of N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine?
N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine has a molecular weight of 377.49 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 118263799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).