6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C23H27N5 — CID 92609134

IUPAC6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2nc(C3CCN(Cc4ccnc5ccccc45)CC3)ncc2C1
InChIInChI=1S/C23H27N5/c1-27-11-9-21-19(15-27)14-25-23(26-21)17-7-12-28(13-8-17)16-18-6-10-24-22-5-3-2-4-20(18)22/h2-6,10,14,17H,7-9,11-13,15-16H2,1H3
InChIKeyBEJBVRPPGCWZIF-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.39
Rot. Bonds3

About 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92609134) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID92609134
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCN1CCc2nc(C3CCN(Cc4ccnc5ccccc45)CC3)ncc2C1
InChIInChI=1S/C23H27N5/c1-27-11-9-21-19(15-27)14-25-23(26-21)17-7-12-28(13-8-17)16-18-6-10-24-22-5-3-2-4-20(18)22/h2-6,10,14,17H,7-9,11-13,15-16H2,1H3
InChIKeyBEJBVRPPGCWZIF-UHFFFAOYSA-N
XLogP3.39
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-cyclopropyl-6-[(2-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917677
2-pyridin-3-yl-6-(quinolin-4-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908960
2-cyclopropyl-6-[(2,5-dimethylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928853
3-[(2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzene-1,2-diol
CID 24928286
2-(4-cyclobutylpiperazin-1-yl)-7-(quinolin-4-ylmethyl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 59670154
(3-methyl-1-benzofuran-2-yl)-[3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]methanone
CID 110241543
2-[(3R)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92608958
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
CID 106838033
2-[(2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]phenol
CID 24930355
2-cyclopropyl-6-[(1-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913373
6-(1,3-benzodioxol-4-ylmethyl)-2-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928391
2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928937

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92609134) is 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CN1CCc2nc(C3CCN(Cc4ccnc5ccccc45)CC3)ncc2C1.
What is the InChIKey of 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is BEJBVRPPGCWZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-27-11-9-21-19(15-27)14-25-23(26-21)17-7-12-28(13-8-17)16-18-6-10-24-22-5-3-2-4-20(18)22/h2-6,10,14,17H,7-9,11-13,15-16H2,1H3.
What are the key properties of 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 373.50 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92609134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).