2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline

C19H26N4 — CID 174284496

IUPAC2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline
SMILESCN1CCC(c2ncc3cc(CN4CCCC4)ccc3n2)CC1
InChIInChI=1S/C19H26N4/c1-22-10-6-16(7-11-22)19-20-13-17-12-15(4-5-18(17)21-19)14-23-8-2-3-9-23/h4-5,12-13,16H,2-3,6-11,14H2,1H3
InChIKeyOJCAGIFQGRXHFJ-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.03
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline

2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline (PubChem CID 174284496) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline
PubChem CID174284496
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline
SMILESCN1CCC(c2ncc3cc(CN4CCCC4)ccc3n2)CC1
InChIInChI=1S/C19H26N4/c1-22-10-6-16(7-11-22)19-20-13-17-12-15(4-5-18(17)21-19)14-23-8-2-3-9-23/h4-5,12-13,16H,2-3,6-11,14H2,1H3
InChIKeyOJCAGIFQGRXHFJ-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174283606
6-[(3,3-difluoropyrrolidin-1-yl)methyl]-2-(oxan-4-yl)quinazoline
CID 174284643
2-cyclopropyl-6-(pyrrolidin-1-ylmethyl)quinoline
CID 174283470
2-cyclopentyl-6-(pyrrolidin-1-ylmethyl)quinoline
CID 174283618
6-[[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
CID 119075050
6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
CID 126454219
4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine
CID 172524123
2-(1-ethylpiperidin-4-yl)-6-(3-fluorophenyl)quinazoline
CID 141144096
1-[2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92558665
2-(1-methylpiperidin-4-yl)-5-(piperidin-1-ylmethyl)pyrazine
CID 172524124
2-cyclopropyl-6-[(3,4-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930113
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline (CID 174284496) is 2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline is CN1CCC(c2ncc3cc(CN4CCCC4)ccc3n2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline?
The InChIKey is OJCAGIFQGRXHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-22-10-6-16(7-11-22)19-20-13-17-12-15(4-5-18(17)21-19)14-23-8-2-3-9-23/h4-5,12-13,16H,2-3,6-11,14H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline?
2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline has a molecular weight of 310.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline is sourced from PubChem (CID 174284496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).