4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline

C14H14ClN3 — CID 63840648

IUPAC4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1ccnc(-c2nc(Cl)c3c(n2)CCCC3)c1
InChIInChI=1S/C14H14ClN3/c1-9-6-7-16-12(8-9)14-17-11-5-3-2-4-10(11)13(15)18-14/h6-8H,2-5H2,1H3
InChIKeyZYACMCHGUWEVCT-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.38
Rot. Bonds1

About 4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline

4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 63840648) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
PubChem CID63840648
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1ccnc(-c2nc(Cl)c3c(n2)CCCC3)c1
InChIInChI=1S/C14H14ClN3/c1-9-6-7-16-12(8-9)14-17-11-5-3-2-4-10(11)13(15)18-14/h6-8H,2-5H2,1H3
InChIKeyZYACMCHGUWEVCT-UHFFFAOYSA-N
XLogP3.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63840703
4-chloro-2-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405558
4,6-dichloro-5-cyclopentyl-2-(4-methyl-2-pyridinyl)pyrimidine
CID 115926418
4-chloro-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazoline
CID 61382244
4-chloro-2-pyrazin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 61382030
2-[methyl-[2-(4-methyl-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetaldehyde
CID 157030264
4-chloro-2-pyrimidin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63985247
3-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 66021415
2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384948
4-(4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)-2,6-dimethylphenol
CID 135981160
4-chloro-2-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405762
4-chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline (CID 63840648) is 4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline is Cc1ccnc(-c2nc(Cl)c3c(n2)CCCC3)c1.
What is the InChIKey of 4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is ZYACMCHGUWEVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c1-9-6-7-16-12(8-9)14-17-11-5-3-2-4-10(11)13(15)18-14/h6-8H,2-5H2,1H3.
What are the key properties of 4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 259.74 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 63840648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).