2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

C16H13Cl2N3O — CID 11232895

IUPAC2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H13Cl2N3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-8-3-10(17)9-14(13)19-16(18)20-15/h3-9H,1-2H3
InChIKeyZWSFLJALKMNMKZ-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.71
Rot. Bonds3

About 2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 11232895) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID11232895
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H13Cl2N3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-8-3-10(17)9-14(13)19-16(18)20-15/h3-9H,1-2H3
InChIKeyZWSFLJALKMNMKZ-UHFFFAOYSA-N
XLogP4.71
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (CID 11232895) is 2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is COc1ccc(N(C)c2nc(Cl)nc3cc(Cl)ccc23)cc1.
What is the InChIKey of 2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is ZWSFLJALKMNMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-8-3-10(17)9-14(13)19-16(18)20-15/h3-9H,1-2H3.
What are the key properties of 2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 334.21 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 11232895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).