3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one

C12H14ClN3O2 — CID 117264100

IUPAC3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
SMILESCOc1ccc2nc(Cl)n(CC(C)N)c(=O)c2c1
InChIInChI=1S/C12H14ClN3O2/c1-7(14)6-16-11(17)9-5-8(18-2)3-4-10(9)15-12(16)13/h3-5,7H,6,14H2,1-2H3
InChIKeyQMOCTPIAKHIDBW-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.41
Rot. Bonds3

About 3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one

3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one (PubChem CID 117264100) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
PubChem CID117264100
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
SMILESCOc1ccc2nc(Cl)n(CC(C)N)c(=O)c2c1
InChIInChI=1S/C12H14ClN3O2/c1-7(14)6-16-11(17)9-5-8(18-2)3-4-10(9)15-12(16)13/h3-5,7H,6,14H2,1-2H3
InChIKeyQMOCTPIAKHIDBW-UHFFFAOYSA-N
XLogP1.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-7-methoxy-3-(2-oxopropyl)quinazolin-4-one
CID 117264209
2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117264101
4-(2-aminopropyl)-6-methoxy-3H-quinazolin-2-one
CID 105492755
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
6-methoxy-2-methyl-3-(phenylsulfanylmethyl)quinazolin-4-one
CID 21004566
2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one
CID 117264397
methyl 2-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)acetate
CID 170904125
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264080
1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine
CID 3045224
6-methoxy-3-phenyl-2-propylquinazolin-4-one
CID 154639055
3-(3-aminopropyl)-2-cyclohexyl-6-methoxyquinazolin-4-one
CID 22484801

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one?
The IUPAC name of 3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one (CID 117264100) is 3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one.
What is the SMILES notation for 3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one?
The canonical SMILES for 3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one is COc1ccc2nc(Cl)n(CC(C)N)c(=O)c2c1.
What is the InChIKey of 3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one?
The InChIKey is QMOCTPIAKHIDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-7(14)6-16-11(17)9-5-8(18-2)3-4-10(9)15-12(16)13/h3-5,7H,6,14H2,1-2H3.
What are the key properties of 3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one?
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one has a molecular weight of 267.72 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one is sourced from PubChem (CID 117264100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).