2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine

C18H18ClN3O2 — CID 22997395

IUPAC2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine
SMILESCOc1cc2nc(-c3ccc(Cl)cc3)nc(N(C)C)c2cc1OC
InChIInChI=1S/C18H18ClN3O2/c1-22(2)18-13-9-15(23-3)16(24-4)10-14(13)20-17(21-18)11-5-7-12(19)8-6-11/h5-10H,1-4H3
InChIKeySMDWCAYUFFWXJR-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.03
Rot. Bonds4

About 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine

2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine (PubChem CID 22997395) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine
PubChem CID22997395
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine
SMILESCOc1cc2nc(-c3ccc(Cl)cc3)nc(N(C)C)c2cc1OC
InChIInChI=1S/C18H18ClN3O2/c1-22(2)18-13-9-15(23-3)16(24-4)10-14(13)20-17(21-18)11-5-7-12(19)8-6-11/h5-10H,1-4H3
InChIKeySMDWCAYUFFWXJR-UHFFFAOYSA-N
XLogP4.03
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N,N-dimethylquinazolin-4-amine
CID 132524311
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 22626608
9,10-bis(4-chlorophenyl)-2,3,6,7-tetramethoxyanthracene
CID 56602037
1-N-[2-(4-chlorophenyl)-6,7-dimethoxyquinazolin-4-yl]-1-N',1-N'-diethylpentane-1,1-diamine;dihydrochloride
CID 22997445
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
4-chloro-6,7-dimethoxy-2-(3-methoxyphenyl)quinazoline
CID 57328585
7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
CID 64983945
4-chloro-6,7-dimethoxy-2-pyridin-3-ylquinazoline
CID 15284500
6,7-dimethoxy-2-(4-methylsulfonylphenyl)quinazolin-4-amine
CID 74250739
4,6-dichloro-3-[4-(4-chlorophenyl)phenyl]-7-methoxy-2-methylquinoline
CID 170432171
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
4,6-dichloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidine
CID 156768151

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine (CID 22997395) is 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine is COc1cc2nc(-c3ccc(Cl)cc3)nc(N(C)C)c2cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine?
The InChIKey is SMDWCAYUFFWXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-22(2)18-13-9-15(23-3)16(24-4)10-14(13)20-17(21-18)11-5-7-12(19)8-6-11/h5-10H,1-4H3.
What are the key properties of 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine?
2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine has a molecular weight of 343.81 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 22997395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).