N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C19H16N4S — CID 2475524

IUPACN-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCN(Cc1cccs1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H16N4S/c1-23(13-15-7-5-11-24-15)19-16-8-2-3-9-17(16)21-18(22-19)14-6-4-10-20-12-14/h2-12H,13H2,1H3
InChIKeyFTIUOGWFBBKQAY-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.39
Rot. Bonds4

About N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine

N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 2475524) has the molecular formula C19H16N4S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID2475524
Molecular FormulaC19H16N4S
Molecular Weight332.43 g/mol
Exact Mass332.11
IUPAC NameN-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCN(Cc1cccs1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H16N4S/c1-23(13-15-7-5-11-24-15)19-16-8-2-3-9-17(16)21-18(22-19)14-6-4-10-20-12-14/h2-12H,13H2,1H3
InChIKeyFTIUOGWFBBKQAY-UHFFFAOYSA-N
XLogP4.39
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 2475524) is N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine is CN(Cc1cccs1)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is FTIUOGWFBBKQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S/c1-23(13-15-7-5-11-24-15)19-16-8-2-3-9-17(16)21-18(22-19)14-6-4-10-20-12-14/h2-12H,13H2,1H3.
What are the key properties of N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 332.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 2475524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).