4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline

C18H20ClN3 — CID 94674661

IUPAC4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1ccc2c(c1)CCCN2c1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C18H20ClN3/c1-12-8-9-16-13(11-12)5-4-10-22(16)18-20-15-7-3-2-6-14(15)17(19)21-18/h8-9,11H,2-7,10H2,1H3
InChIKeySJXZCPORQLSVSA-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.40
Rot. Bonds1

About 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline

4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline (PubChem CID 94674661) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline
PubChem CID94674661
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline
SMILESCc1ccc2c(c1)CCCN2c1nc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C18H20ClN3/c1-12-8-9-16-13(11-12)5-4-10-22(16)18-20-15-7-3-2-6-14(15)17(19)21-18/h8-9,11H,2-7,10H2,1H3
InChIKeySJXZCPORQLSVSA-UHFFFAOYSA-N
XLogP4.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline with MolForge

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Related Compounds

4-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 117101371
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796345
N-methyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-2-amine
CID 80754492
1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-3,4-dihydro-2H-quinoline
CID 80946353
1-[3-(chloromethyl)-4,6-dimethyl-2-pyridinyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 63445814
[6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]hydrazine
CID 80916496
N-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80753865
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115468460
5-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80754656
1-[5-(bromomethyl)pyrimidin-2-yl]-6-methyl-3,4-dihydro-2H-quinoline
CID 107079634
4-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512094
N-methyl-1-[6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]methanamine
CID 62279123

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline (CID 94674661) is 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline is Cc1ccc2c(c1)CCCN2c1nc(Cl)c2c(n1)CCCC2.
What is the InChIKey of 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline?
The InChIKey is SJXZCPORQLSVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3/c1-12-8-9-16-13(11-12)5-4-10-22(16)18-20-15-7-3-2-6-14(15)17(19)21-18/h8-9,11H,2-7,10H2,1H3.
What are the key properties of 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline?
4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline has a molecular weight of 313.83 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 94674661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).