N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine

C22H20N4O2 — CID 3235011

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C22H20N4O2/c1-27-17-10-9-15(20(12-17)28-2)14-24-22-18-7-3-4-8-19(18)25-21(26-22)16-6-5-11-23-13-16/h3-13H,14H2,1-2H3,(H,24,25,26)
InChIKeySJVJSPWKPCUULI-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.32
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine

N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 3235011) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID3235011
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCOc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)c(OC)c1
InChIInChI=1S/C22H20N4O2/c1-27-17-10-9-15(20(12-17)28-2)14-24-22-18-7-3-4-8-19(18)25-21(26-22)16-6-5-11-23-13-16/h3-13H,14H2,1-2H3,(H,24,25,26)
InChIKeySJVJSPWKPCUULI-UHFFFAOYSA-N
XLogP4.32
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

PD-166866
CID 5328127
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
N-{2-[(tert-butylcarbamoyl)amino]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl}acetamide
CID 5329001
1,6-Naphthyridine 20
CID 5330130
1,6-Naphthyridine 23
CID 5330133
2-Aminoquinazoline 20
CID 5330318
2,4-Diamino-6-(N-(3',5'-Dimethoxybenzyl)-N-Methylamino)Pyrido(2,3-D)Pyrimidine
CID 447022
2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
CID 447229
6-(2,6-Dimethoxyphenyl)pyrido(2,3-d)pyrimidine-2,7-diamine
CID 21850055
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 3235011) is N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine is COc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is SJVJSPWKPCUULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-27-17-10-9-15(20(12-17)28-2)14-24-22-18-7-3-4-8-19(18)25-21(26-22)16-6-5-11-23-13-16/h3-13H,14H2,1-2H3,(H,24,25,26).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 372.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 3235011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).