2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

C16H13Cl2N3O — CID 11393463

IUPAC2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13Cl2N3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-9-10(17)3-8-14(13)19-16(18)20-15/h3-9H,1-2H3
InChIKeyCIINIBVJXMGLHX-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.71
Rot. Bonds3

About 2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 11393463) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID11393463
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3ccc(Cl)cc23)cc1
InChIInChI=1S/C16H13Cl2N3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-9-10(17)3-8-14(13)19-16(18)20-15/h3-9H,1-2H3
InChIKeyCIINIBVJXMGLHX-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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Related Compounds

Verubulin
CID 11414799
CP-31398
CID 9950868
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
CID 24778299
N-(4-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 1475052
Obefazimod
CID 49846599
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
CID 2952997
CID 2952997
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
N-(4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 721008
2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11208709
5-((3-Chlorophenoxy)methyl)quinazoline-2,4-diamine
CID 11688044
2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11738112

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (CID 11393463) is 2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is COc1ccc(N(C)c2nc(Cl)nc3ccc(Cl)cc23)cc1.
What is the InChIKey of 2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is CIINIBVJXMGLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c1-21(11-4-6-12(22-2)7-5-11)15-13-9-10(17)3-8-14(13)19-16(18)20-15/h3-9H,1-2H3.
What are the key properties of 2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
2,6-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 2,6-dichloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 11393463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).