2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one

C12H14ClN3O2 — CID 117264397

IUPAC2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCNC(C)n1c(Cl)nc2cc(OC)ccc2c1=O
InChIInChI=1S/C12H14ClN3O2/c1-7(14-2)16-11(17)9-5-4-8(18-3)6-10(9)15-12(16)13/h4-7,14H,1-3H3
InChIKeyCFOZKHRMPAGXFW-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.80
Rot. Bonds3

About 2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one

2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one (PubChem CID 117264397) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one
PubChem CID117264397
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one
SMILESCNC(C)n1c(Cl)nc2cc(OC)ccc2c1=O
InChIInChI=1S/C12H14ClN3O2/c1-7(14-2)16-11(17)9-5-4-8(18-3)6-10(9)15-12(16)13/h4-7,14H,1-3H3
InChIKeyCFOZKHRMPAGXFW-UHFFFAOYSA-N
XLogP1.80
TPSA56.15 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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-3-[1-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264349
2-chloro-7-methoxy-3-(2-oxopropyl)quinazolin-4-one
CID 117264209
2-amino-7-methoxy-3-methylquinazolin-4-one
CID 84778294
3-(2-aminopropyl)-2-chloro-6-methoxyquinazolin-4-one
CID 117264100
4-chloro-7-methoxy-2-propan-2-ylquinazoline
CID 106584178
3-(1-aminoethyl)-2-chloro-7-(trifluoromethyl)quinazolin-4-one
CID 117264348
3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112219
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde
CID 174859471
2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde
CID 84628269
7-methoxy-N,4-dimethylquinolin-2-amine
CID 84619850
N-[7-chloro-2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-2,4-dimethoxybenzamide
CID 1457820

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one?
The IUPAC name of 2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one (CID 117264397) is 2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one is CNC(C)n1c(Cl)nc2cc(OC)ccc2c1=O.
What is the InChIKey of 2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one?
The InChIKey is CFOZKHRMPAGXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-7(14-2)16-11(17)9-5-4-8(18-3)6-10(9)15-12(16)13/h4-7,14H,1-3H3.
What are the key properties of 2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one?
2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one has a molecular weight of 267.72 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-3-[1-(methylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 117264397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).