2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine

C21H16ClN3O — CID 11325910

IUPAC2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESCN(c1ccc(Oc2ccccc2)cc1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C21H16ClN3O/c1-25(20-18-9-5-6-10-19(18)23-21(22)24-20)15-11-13-17(14-12-15)26-16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyUUCBIOYCBAVSCV-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.84
Rot. Bonds4

About 2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine

2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine (PubChem CID 11325910) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
PubChem CID11325910
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
SMILESCN(c1ccc(Oc2ccccc2)cc1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C21H16ClN3O/c1-25(20-18-9-5-6-10-19(18)23-21(22)24-20)15-11-13-17(14-12-15)26-16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyUUCBIOYCBAVSCV-UHFFFAOYSA-N
XLogP5.84
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine (CID 11325910) is 2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine is CN(c1ccc(Oc2ccccc2)cc1)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is UUCBIOYCBAVSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c1-25(20-18-9-5-6-10-19(18)23-21(22)24-20)15-11-13-17(14-12-15)26-16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine?
2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 361.83 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 11325910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).