2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

C16H14ClN3O — CID 11738112

IUPAC2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C16H14ClN3O/c1-20(11-7-9-12(21-2)10-8-11)15-13-5-3-4-6-14(13)18-16(17)19-15/h3-10H,1-2H3
InChIKeyCIPVUQSDDVFBPO-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.06
Rot. Bonds3

About 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 11738112) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID11738112
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C16H14ClN3O/c1-20(11-7-9-12(21-2)10-8-11)15-13-5-3-4-6-14(13)18-16(17)19-15/h3-10H,1-2H3
InChIKeyCIPVUQSDDVFBPO-UHFFFAOYSA-N
XLogP4.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (CID 11738112) is 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is COc1ccc(N(C)c2nc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is CIPVUQSDDVFBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-20(11-7-9-12(21-2)10-8-11)15-13-5-3-4-6-14(13)18-16(17)19-15/h3-10H,1-2H3.
What are the key properties of 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 299.76 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 11738112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).