4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine

C22H20N4O — CID 1415819

IUPAC4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H20N4O/c1-27-20-14-8-7-13-19(20)25-22-24-18-12-6-5-11-17(18)21(26-22)23-15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H2,23,24,25,26)
InChIKeyOTRSHXRFMSEQAZ-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.99
Rot. Bonds6

About 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine

4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine (PubChem CID 1415819) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine
PubChem CID1415819
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine
SMILESCOc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H20N4O/c1-27-20-14-8-7-13-19(20)25-22-24-18-12-6-5-11-17(18)21(26-22)23-15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H2,23,24,25,26)
InChIKeyOTRSHXRFMSEQAZ-UHFFFAOYSA-N
XLogP4.99
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Verubulin
CID 11414799
Evp4593
CID 509554
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2,4-Diamino-6-[N-(2',5'-Dimethoxybenzyl)-N-Methylamino]Quinazoline
CID 447021
N-(4-phenoxyphenyl)quinazolin-4-amine
CID 712152
5-Chloro-6-[(2,5-dimethoxyanilino)methyl]quinazoline-2,4-diamine
CID 461917
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
Vuf5574
CID 4046493

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine (CID 1415819) is 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine is COc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine?
The InChIKey is OTRSHXRFMSEQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-27-20-14-8-7-13-19(20)25-22-24-18-12-6-5-11-17(18)21(26-22)23-15-16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine?
4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine has a molecular weight of 356.43 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2-methoxyphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 1415819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).