2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C16H18ClN3O — CID 104818200

IUPAC2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2c(Cl)cccc2OC)nc2c1CCCC2
InChIInChI=1S/C16H18ClN3O/c1-18-15-10-6-3-4-8-12(10)19-16(20-15)14-11(17)7-5-9-13(14)21-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,18,19,20)
InChIKeyAJQUUKOARAFPMZ-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.73
Rot. Bonds3

About 2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 104818200) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID104818200
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(-c2c(Cl)cccc2OC)nc2c1CCCC2
InChIInChI=1S/C16H18ClN3O/c1-18-15-10-6-3-4-8-12(10)19-16(20-15)14-11(17)7-5-9-13(14)21-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,18,19,20)
InChIKeyAJQUUKOARAFPMZ-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chloro-6-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 104818402
2-(3-chloro-4-methoxyphenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65022151
2-(2-chloro-6-methoxyphenyl)-5-fluoro-N-methylpyrimidin-4-amine
CID 50970917
2-(2-chloro-6-methoxyphenyl)-5-iodo-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 104818339
2-(2,6-dichlorophenyl)-N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472809
2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106793023
2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472857
2-methoxy-5-[4-(methylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]phenol
CID 62202423
2-(3,5-dichlorophenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63479501
N-methyl-2-pyrimidin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351423
2-methoxy-5-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]phenol
CID 62204243
2-(4-chlorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192291

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 104818200) is 2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(-c2c(Cl)cccc2OC)nc2c1CCCC2.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is AJQUUKOARAFPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-18-15-10-6-3-4-8-12(10)19-16(20-15)14-11(17)7-5-9-13(14)21-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 303.79 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 104818200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).