1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine

C23H22N4O2 — CID 67698095

IUPAC1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine
SMILESCOc1cc2cnc(Nc3ccc(NCc4ccccc4)cc3)nc2cc1OC
InChIInChI=1S/C23H22N4O2/c1-28-21-12-17-15-25-23(27-20(17)13-22(21)29-2)26-19-10-8-18(9-11-19)24-14-16-6-4-3-5-7-16/h3-13,15,24H,14H2,1-2H3,(H,25,26,27)
InChIKeyCVKQWRDLZWIIPB-UHFFFAOYSA-N
MW386.46 g/mol
LogP5.00
Rot. Bonds7

About 1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine

1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine (PubChem CID 67698095) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine
PubChem CID67698095
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine
SMILESCOc1cc2cnc(Nc3ccc(NCc4ccccc4)cc3)nc2cc1OC
InChIInChI=1S/C23H22N4O2/c1-28-21-12-17-15-25-23(27-20(17)13-22(21)29-2)26-19-10-8-18(9-11-19)24-14-16-6-4-3-5-7-16/h3-13,15,24H,14H2,1-2H3,(H,25,26,27)
InChIKeyCVKQWRDLZWIIPB-UHFFFAOYSA-N
XLogP5.00
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.46
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 70190585
2-bromo-4-[(6,7-dimethoxyquinazolin-2-yl)amino]phenol
CID 54042004
N-(3-ethynylphenyl)-6,7-dimethoxyquinazolin-2-amine
CID 150674424
4-(benzylamino)-2-methoxybenzaldehyde
CID 54461880
2-N-(4-methoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 71690865
4-N-benzyl-5-nitro-2-N-phenylpyrimidine-2,4-diamine
CID 102172418
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
4-(benzylamino)-N-[4-[2-(3,4-dimethoxyphenyl)ethenyl]pyrimidin-2-yl]benzenesulfonamide
CID 5107795
5-(benzylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109188107
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine (CID 67698095) is 1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine is COc1cc2cnc(Nc3ccc(NCc4ccccc4)cc3)nc2cc1OC.
What is the InChIKey of 1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine?
The InChIKey is CVKQWRDLZWIIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-28-21-12-17-15-25-23(27-20(17)13-22(21)29-2)26-19-10-8-18(9-11-19)24-14-16-6-4-3-5-7-16/h3-13,15,24H,14H2,1-2H3,(H,25,26,27).
What are the key properties of 1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine?
1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine has a molecular weight of 386.46 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 67698095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).