N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide

C20H23Br2N3 — CID 45052924

IUPACN-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide
SMILESBr.Br.c1ccc(-c2cc(NC3CCCCC3)c3ccccc3n2)nc1
InChIInChI=1S/C20H21N3.2BrH/c1-2-8-15(9-3-1)22-19-14-20(18-12-6-7-13-21-18)23-17-11-5-4-10-16(17)19;;/h4-7,10-15H,1-3,8-9H2,(H,22,23);2*1H
InChIKeyQGRQTYAIHSMPIZ-UHFFFAOYSA-N
MW465.23 g/mol
LogP6.20
Rot. Bonds3

About N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide

N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide (PubChem CID 45052924) has the molecular formula C20H23Br2N3 and a molecular weight of 465.23 g/mol. Its IUPAC name is N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide
PubChem CID45052924
Molecular FormulaC20H23Br2N3
Molecular Weight465.23 g/mol
Exact Mass463.03
IUPAC NameN-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide
SMILESBr.Br.c1ccc(-c2cc(NC3CCCCC3)c3ccccc3n2)nc1
InChIInChI=1S/C20H21N3.2BrH/c1-2-8-15(9-3-1)22-19-14-20(18-12-6-7-13-21-18)23-17-11-5-4-10-16(17)19;;/h4-7,10-15H,1-3,8-9H2,(H,22,23);2*1H
InChIKeyQGRQTYAIHSMPIZ-UHFFFAOYSA-N
XLogP6.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.23
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757634
N-cyclopentyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4232578
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
4-(2-methylpiperidin-1-yl)-2-pyridin-2-ylquinoline;hydrobromide
CID 131872360
4-chloro-2-pyridin-2-ylquinoline
CID 24903559
N-cyclopentyl-4-pyridin-2-ylpyrimidin-2-amine
CID 14347203
N-cyclopentyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine
CID 135368333
2-pyridin-2-yl-4-pyrrolidin-1-ylquinoline;hydrate
CID 51057895
N',N'-diethyl-N-(2-pyridin-2-ylquinolin-4-yl)ethane-1,2-diamine
CID 91938177
4-(cyclohexylamino)-N-(2H-tetrazol-5-yl)quinoline-2-carboxamide
CID 21426371
N-cyclohexyl-4-methylquinazolin-2-amine
CID 118714792
piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide?
The IUPAC name of N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide (CID 45052924) is N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide.
What is the SMILES notation for N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide?
The canonical SMILES for N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide is Br.Br.c1ccc(-c2cc(NC3CCCCC3)c3ccccc3n2)nc1.
What is the InChIKey of N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide?
The InChIKey is QGRQTYAIHSMPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3.2BrH/c1-2-8-15(9-3-1)22-19-14-20(18-12-6-7-13-21-18)23-17-11-5-4-10-16(17)19;;/h4-7,10-15H,1-3,8-9H2,(H,22,23);2*1H.
What are the key properties of N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide?
N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide has a molecular weight of 465.23 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyridin-2-ylquinolin-4-amine;dihydrobromide is sourced from PubChem (CID 45052924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).