N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine

C23H22N4 — CID 46987605

IUPACN-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine
SMILESCc1cccc(-c2ncc(CN(C)Cc3cccc4ncccc34)cn2)c1
InChIInChI=1S/C23H22N4/c1-17-6-3-7-19(12-17)23-25-13-18(14-26-23)15-27(2)16-20-8-4-10-22-21(20)9-5-11-24-22/h3-14H,15-16H2,1-2H3
InChIKeyIPQDUMPAYBWKNS-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.63
Rot. Bonds5

About N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine

N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine (PubChem CID 46987605) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine
PubChem CID46987605
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC NameN-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine
SMILESCc1cccc(-c2ncc(CN(C)Cc3cccc4ncccc34)cn2)c1
InChIInChI=1S/C23H22N4/c1-17-6-3-7-19(12-17)23-25-13-18(14-26-23)15-27(2)16-20-8-4-10-22-21(20)9-5-11-24-22/h3-14H,15-16H2,1-2H3
InChIKeyIPQDUMPAYBWKNS-UHFFFAOYSA-N
XLogP4.63
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine?
The IUPAC name of N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine (CID 46987605) is N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine?
The canonical SMILES for N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine is Cc1cccc(-c2ncc(CN(C)Cc3cccc4ncccc34)cn2)c1.
What is the InChIKey of N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine?
The InChIKey is IPQDUMPAYBWKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4/c1-17-6-3-7-19(12-17)23-25-13-18(14-26-23)15-27(2)16-20-8-4-10-22-21(20)9-5-11-24-22/h3-14H,15-16H2,1-2H3.
What are the key properties of N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine?
N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine has a molecular weight of 354.46 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-quinolin-5-ylmethanamine is sourced from PubChem (CID 46987605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).