2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

C18H18ClN3O3 — CID 11428357

IUPAC2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C18H18ClN3O3/c1-22(11-5-7-12(23-2)8-6-11)17-13-9-15(24-3)16(25-4)10-14(13)20-18(19)21-17/h5-10H,1-4H3
InChIKeyUWXHKNYUROKFSM-UHFFFAOYSA-N
MW359.81 g/mol
LogP4.08
Rot. Bonds5

About 2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 11428357) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID11428357
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(Cl)nc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C18H18ClN3O3/c1-22(11-5-7-12(23-2)8-6-11)17-13-9-15(24-3)16(25-4)10-14(13)20-18(19)21-17/h5-10H,1-4H3
InChIKeyUWXHKNYUROKFSM-UHFFFAOYSA-N
XLogP4.08
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (CID 11428357) is 2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is COc1ccc(N(C)c2nc(Cl)nc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of 2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is UWXHKNYUROKFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-22(11-5-7-12(23-2)8-6-11)17-13-9-15(24-3)16(25-4)10-14(13)20-18(19)21-17/h5-10H,1-4H3.
What are the key properties of 2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 359.81 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxy-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 11428357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).