4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline

C12H13ClN2 — CID 123696972

IUPAC4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline
SMILESCC1C=Cc2c(Cl)nc(C3CC3)nc2C1
InChIInChI=1S/C12H13ClN2/c1-7-2-5-9-10(6-7)14-12(8-3-4-8)15-11(9)13/h2,5,7-8H,3-4,6H2,1H3
InChIKeyMKDVJWMPXUCKIJ-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.21
Rot. Bonds1

About 4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline

4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline (PubChem CID 123696972) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline
PubChem CID123696972
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline
SMILESCC1C=Cc2c(Cl)nc(C3CC3)nc2C1
InChIInChI=1S/C12H13ClN2/c1-7-2-5-9-10(6-7)14-12(8-3-4-8)15-11(9)13/h2,5,7-8H,3-4,6H2,1H3
InChIKeyMKDVJWMPXUCKIJ-UHFFFAOYSA-N
XLogP3.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 598255
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CID 796128
4-Chloro-6-cyclopropyl-2-methylpyrimidine
CID 45788112
4-Chloro-6-ethyl-5-methyl-2-phenylpyrimidine
CID 10752079
4-Chloro-2,6-dimethyl-5-(prop-2-en-1-yl)pyrimidine
CID 12860322
4-Chloro-2,6-dimethyl-5-phenylpyrimidine
CID 15626109
4-Chloro-5-fluoro-6-methyl-2-phenylpyrimidine
CID 25324166
4-Chloro-2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 54891099
4-Chloro-2-[(2-fluorophenyl)methyl]-5,6-dimethylpyrimidine
CID 54978002
4-Chloro-2-(2-fluorophenyl)-5,6-dimethylpyrimidine
CID 82168905
4-Chloro-5-(4-fluorobenzyl)-2,6-dimethylpyrimidine
CID 86647813

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline?
The IUPAC name of 4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline (CID 123696972) is 4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline.
What is the SMILES notation for 4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline?
The canonical SMILES for 4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline is CC1C=Cc2c(Cl)nc(C3CC3)nc2C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline?
The InChIKey is MKDVJWMPXUCKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-7-2-5-9-10(6-7)14-12(8-3-4-8)15-11(9)13/h2,5,7-8H,3-4,6H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline?
4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline has a molecular weight of 220.70 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-7-methyl-7,8-dihydroquinazoline is sourced from PubChem (CID 123696972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).