2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine

C17H16ClN3O — CID 11232253

IUPAC2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine
SMILESCCN(c1ccc(OC)cc1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C17H16ClN3O/c1-3-21(12-8-10-13(22-2)11-9-12)16-14-6-4-5-7-15(14)19-17(18)20-16/h4-11H,3H2,1-2H3
InChIKeyFSLMXGLQAJMKIZ-UHFFFAOYSA-N
MW313.79 g/mol
LogP4.45
Rot. Bonds4

About 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine

2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine (PubChem CID 11232253) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine
PubChem CID11232253
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine
SMILESCCN(c1ccc(OC)cc1)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C17H16ClN3O/c1-3-21(12-8-10-13(22-2)11-9-12)16-14-6-4-5-7-15(14)19-17(18)20-16/h4-11H,3H2,1-2H3
InChIKeyFSLMXGLQAJMKIZ-UHFFFAOYSA-N
XLogP4.45
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Verubulin
CID 11414799
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
6-Methoxyquinazoline
CID 13126887
CP-31398
CID 9950868
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
4-Methoxyquinazoline
CID 27831
2-Chloro-6,7-dimethoxy-4-(piperidin-1-yl)quinazoline
CID 1713515
4-Methoxy-2-(4-propoxyphenyl)quinazoline
CID 1612038
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine (CID 11232253) is 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine is CCN(c1ccc(OC)cc1)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine?
The InChIKey is FSLMXGLQAJMKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O/c1-3-21(12-8-10-13(22-2)11-9-12)16-14-6-4-5-7-15(14)19-17(18)20-16/h4-11H,3H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine?
2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine has a molecular weight of 313.79 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(4-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 11232253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).