2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine

C23H22N4O3 — CID 9024030

IUPAC2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(CNc2nc(-c3cccnc3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H22N4O3/c1-28-19-11-15(12-20(29-2)21(19)30-3)13-25-23-17-8-4-5-9-18(17)26-22(27-23)16-7-6-10-24-14-16/h4-12,14H,13H2,1-3H3,(H,25,26,27)
InChIKeySDXUHTVCGQDTFM-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.33
Rot. Bonds7

About 2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine

2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 9024030) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID9024030
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1cc(CNc2nc(-c3cccnc3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H22N4O3/c1-28-19-11-15(12-20(29-2)21(19)30-3)13-25-23-17-8-4-5-9-18(17)26-22(27-23)16-7-6-10-24-14-16/h4-12,14H,13H2,1-3H3,(H,25,26,27)
InChIKeySDXUHTVCGQDTFM-UHFFFAOYSA-N
XLogP4.33
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
CID 166215085
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
2-propyl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 69312797
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180587
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 19392183
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
2-[[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amino]ethanol
CID 171988113

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine (CID 9024030) is 2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine is COc1cc(CNc2nc(-c3cccnc3)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is SDXUHTVCGQDTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-28-19-11-15(12-20(29-2)21(19)30-3)13-25-23-17-8-4-5-9-18(17)26-22(27-23)16-7-6-10-24-14-16/h4-12,14H,13H2,1-3H3,(H,25,26,27).
What are the key properties of 2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine?
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 402.45 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 9024030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).