N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide

C23H20N4O3 — CID 6610278

IUPACN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyIMYVCWQAHSYYOO-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.64
Rot. Bonds6

About N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide

N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide (PubChem CID 6610278) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
PubChem CID6610278
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCOc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyIMYVCWQAHSYYOO-UHFFFAOYSA-N
XLogP4.64
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Erlotinib
CID 176870
Erlotinib Hydrochloride
CID 176871
N-(3-Chlorophenyl)-6,7-dimethoxy-4-quinazolinamine
CID 2051
Tandutinib
CID 3038522
Bunazosin
CID 2472
PD-153035
CID 4705
Icotinib
CID 22024915
Cudc-101
CID 24756910
Lotamilast
CID 24864553
6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(3-Iodophyenyl)-6,7-dimethoxyoxy-4-quinazolina
CID 5328201
N-(3-chlorophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride
CID 3035187

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide (CID 6610278) is N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide is COc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC.
What is the InChIKey of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
The InChIKey is IMYVCWQAHSYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-29-20-12-18-19(13-21(20)30-2)24-14-25-22(18)26-16-8-10-17(11-9-16)27-23(28)15-6-4-3-5-7-15/h3-14H,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide?
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide has a molecular weight of 400.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 6610278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).