N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine

C27H27N7 — CID 108779379

IUPACN-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine
SMILESCc1cc(Nc2nc3ccccc3nc2N2CCCC2)n(-c2cc(C)c3cccc(C)c3n2)n1
InChIInChI=1S/C27H27N7/c1-17-9-8-10-20-18(2)15-23(30-25(17)20)34-24(16-19(3)32-34)31-26-27(33-13-6-7-14-33)29-22-12-5-4-11-21(22)28-26/h4-5,8-12,15-16H,6-7,13-14H2,1-3H3,(H,28,31)
InChIKeyYRPFVQLITOZNKF-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.63
Rot. Bonds4

About N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine

N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine (PubChem CID 108779379) has the molecular formula C27H27N7 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine
PubChem CID108779379
Molecular FormulaC27H27N7
Molecular Weight449.56 g/mol
Exact Mass449.23
IUPAC NameN-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine
SMILESCc1cc(Nc2nc3ccccc3nc2N2CCCC2)n(-c2cc(C)c3cccc(C)c3n2)n1
InChIInChI=1S/C27H27N7/c1-17-9-8-10-20-18(2)15-23(30-25(17)20)34-24(16-19(3)32-34)31-26-27(33-13-6-7-14-33)29-22-12-5-4-11-21(22)28-26/h4-5,8-12,15-16H,6-7,13-14H2,1-3H3,(H,28,31)
InChIKeyYRPFVQLITOZNKF-UHFFFAOYSA-N
XLogP5.63
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-3-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]quinoxaline
CID 108773344
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]piperidine-4-carboxamide
CID 108747623
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
N-(3,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-amine
CID 15989749
5-[(3-chloroquinoxalin-2-yl)amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108779236
2-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4,8-dimethylquinoline
CID 108773340
3-chloro-N-(5-methyl-2-quinolin-2-ylpyrazol-3-yl)quinoxalin-2-amine
CID 108778771
4-(4,8-dimethylquinolin-2-yl)morpholine
CID 798855
methyl N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]carbamate
CID 108747073
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-2-(2-propan-2-ylphenoxy)propanamide
CID 108769696
4,8-dimethyl-2-piperidin-1-ylquinoline;2,2,2-trifluoroacetic acid
CID 46891914
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine?
The IUPAC name of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine (CID 108779379) is N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine.
What is the SMILES notation for N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine?
The canonical SMILES for N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine is Cc1cc(Nc2nc3ccccc3nc2N2CCCC2)n(-c2cc(C)c3cccc(C)c3n2)n1.
What is the InChIKey of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine?
The InChIKey is YRPFVQLITOZNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7/c1-17-9-8-10-20-18(2)15-23(30-25(17)20)34-24(16-19(3)32-34)31-26-27(33-13-6-7-14-33)29-22-12-5-4-11-21(22)28-26/h4-5,8-12,15-16H,6-7,13-14H2,1-3H3,(H,28,31).
What are the key properties of N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine?
N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine has a molecular weight of 449.56 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,8-dimethylquinolin-2-yl)-5-methylpyrazol-3-yl]-3-pyrrolidin-1-ylquinoxalin-2-amine is sourced from PubChem (CID 108779379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).