4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine

C18H20N4O — CID 91963294

IUPAC4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(N(C)C)nc2ccccc12
InChIInChI=1S/C18H20N4O/c1-22(2)18-20-15-10-6-5-9-14(15)17(21-18)19-12-13-8-4-7-11-16(13)23-3/h4-11H,12H2,1-3H3,(H,19,20,21)
InChIKeyQPUOVNUPVYLBGR-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.32
Rot. Bonds5

About 4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine

4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine (PubChem CID 91963294) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
PubChem CID91963294
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine
SMILESCOc1ccccc1CNc1nc(N(C)C)nc2ccccc12
InChIInChI=1S/C18H20N4O/c1-22(2)18-20-15-10-6-5-9-14(15)17(21-18)19-12-13-8-4-7-11-16(13)23-3/h4-11H,12H2,1-3H3,(H,19,20,21)
InChIKeyQPUOVNUPVYLBGR-UHFFFAOYSA-N
XLogP3.32
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
2-N-cyclopentyl-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963368
2-N-[(2-methoxyphenyl)methyl]-4-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine
CID 91963631
6-chloro-4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869536
2-N-(2-methoxy-5-methylphenyl)-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963270
4-N-[(2-methoxyphenyl)methyl]-2-N-(2-thiophen-2-ylethyl)quinazoline-2,4-diamine
CID 91963356
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 91963240
N-[(2-ethoxyphenyl)methyl]-2-methylquinazolin-4-amine
CID 68649031
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]benzoic acid
CID 91963258
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(2-methoxyphenyl)methyl]quinazoline-2,4-diamine
CID 91963375
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 87481246
1-[3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenyl]ethanol
CID 91963252

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine?
The IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine (CID 91963294) is 4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine is COc1ccccc1CNc1nc(N(C)C)nc2ccccc12.
What is the InChIKey of 4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine?
The InChIKey is QPUOVNUPVYLBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22(2)18-20-15-10-6-5-9-14(15)17(21-18)19-12-13-8-4-7-11-16(13)23-3/h4-11H,12H2,1-3H3,(H,19,20,21).
What are the key properties of 4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine?
4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine has a molecular weight of 308.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethylquinazoline-2,4-diamine is sourced from PubChem (CID 91963294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).