N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C19H16N4O — CID 3235115

IUPACN-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1ccco1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H16N4O/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
InChIKeyTUVWSFNZAMAFTH-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.92
Rot. Bonds4

About N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine

N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 3235115) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID3235115
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCN(Cc1ccco1)c1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C19H16N4O/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
InChIKeyTUVWSFNZAMAFTH-UHFFFAOYSA-N
XLogP3.92
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 3235115) is N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CN(Cc1ccco1)c1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is TUVWSFNZAMAFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/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-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 316.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 3235115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).