[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone

C23H18ClN3O3 — CID 18967638

IUPAC[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
SMILESCOc1cc2ncnc(Nc3ccc(C(=O)c4ccccc4)c(Cl)c3)c2cc1OC
InChIInChI=1S/C23H18ClN3O3/c1-29-20-11-17-19(12-21(20)30-2)25-13-26-23(17)27-15-8-9-16(18(24)10-15)22(28)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,25,26,27)
InChIKeyRQYOIFHVYPMEQJ-UHFFFAOYSA-N
MW419.87 g/mol
LogP5.28
Rot. Bonds6

About [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone

[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone (PubChem CID 18967638) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
PubChem CID18967638
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
SMILESCOc1cc2ncnc(Nc3ccc(C(=O)c4ccccc4)c(Cl)c3)c2cc1OC
InChIInChI=1S/C23H18ClN3O3/c1-29-20-11-17-19(12-21(20)30-2)25-13-26-23(17)27-15-8-9-16(18(24)10-15)22(28)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,25,26,27)
InChIKeyRQYOIFHVYPMEQJ-UHFFFAOYSA-N
XLogP5.28
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
[4-(4-benzoyl-3-chloroanilino)quinazolin-6-yl] acetate;hydrochloride
CID 18967593
[2-chloro-4-[[6-[2-(methylamino)ethoxy]quinazolin-4-yl]amino]phenyl]-phenylmethanone;dihydrochloride
CID 18967674
3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 59295374
N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluorophenyl]benzamide;hydrochloride
CID 22732318
ethyl 7-[4-(4-benzoylanilino)-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 141401410
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
[2-chloro-4-[(6-hydroxyquinazolin-4-yl)amino]phenyl]-pyridin-3-ylmethanone
CID 57226809
(4-anilino-7-methoxyquinazolin-6-yl) 2,2-dimethylpropanoate
CID 134271543
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]benzoic acid
CID 69053494

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone?
The IUPAC name of [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone (CID 18967638) is [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone.
What is the SMILES notation for [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone?
The canonical SMILES for [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone is COc1cc2ncnc(Nc3ccc(C(=O)c4ccccc4)c(Cl)c3)c2cc1OC.
What is the InChIKey of [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone?
The InChIKey is RQYOIFHVYPMEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-29-20-11-17-19(12-21(20)30-2)25-13-26-23(17)27-15-8-9-16(18(24)10-15)22(28)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,25,26,27).
What are the key properties of [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone?
[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone has a molecular weight of 419.87 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone is sourced from PubChem (CID 18967638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).