N-(4-phenoxyphenyl)quinazolin-4-amine

C20H15N3O — CID 712152

IUPACN-(4-phenoxyphenyl)quinazolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIInChI=1S/C20H15N3O/c1-2-6-16(7-3-1)24-17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20/h1-14H,(H,21,22,23)
InChIKeyRJOICMFRJBMONF-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.17
Rot. Bonds4

About N-(4-phenoxyphenyl)quinazolin-4-amine

N-(4-phenoxyphenyl)quinazolin-4-amine (PubChem CID 712152) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)quinazolin-4-amine
PubChem CID712152
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC NameN-(4-phenoxyphenyl)quinazolin-4-amine
SMILESc1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1
InChIInChI=1S/C20H15N3O/c1-2-6-16(7-3-1)24-17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20/h1-14H,(H,21,22,23)
InChIKeyRJOICMFRJBMONF-UHFFFAOYSA-N
XLogP5.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Icotinib
CID 22024915
Verubulin
CID 11414799
Whi-p131
CID 3794
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline
CID 5687
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
Evp4593
CID 509554
Src Kinase Inhibitor I
CID 1474853
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
11N-112
CID 1474883

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)quinazolin-4-amine?
The IUPAC name of N-(4-phenoxyphenyl)quinazolin-4-amine (CID 712152) is N-(4-phenoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for N-(4-phenoxyphenyl)quinazolin-4-amine?
The canonical SMILES for N-(4-phenoxyphenyl)quinazolin-4-amine is c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)quinazolin-4-amine?
The InChIKey is RJOICMFRJBMONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-2-6-16(7-3-1)24-17-12-10-15(11-13-17)23-20-18-8-4-5-9-19(18)21-14-22-20/h1-14H,(H,21,22,23).
What are the key properties of N-(4-phenoxyphenyl)quinazolin-4-amine?
N-(4-phenoxyphenyl)quinazolin-4-amine has a molecular weight of 313.36 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 712152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).