2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine

C18H15N3O2 — CID 3235248

IUPAC2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(Cc1ccco1)c1nc(-c2ccoc2)nc2ccccc12
InChIInChI=1S/C18H15N3O2/c1-21(11-14-5-4-9-23-14)18-15-6-2-3-7-16(15)19-17(20-18)13-8-10-22-12-13/h2-10,12H,11H2,1H3
InChIKeyIWTJAHWANHHRNN-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.12
Rot. Bonds4

About 2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine

2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine (PubChem CID 3235248) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
PubChem CID3235248
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
SMILESCN(Cc1ccco1)c1nc(-c2ccoc2)nc2ccccc12
InChIInChI=1S/C18H15N3O2/c1-21(11-14-5-4-9-23-14)18-15-6-2-3-7-16(15)19-17(20-18)13-8-10-22-12-13/h2-10,12H,11H2,1H3
InChIKeyIWTJAHWANHHRNN-UHFFFAOYSA-N
XLogP4.12
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine (CID 3235248) is 2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine is CN(Cc1ccco1)c1nc(-c2ccoc2)nc2ccccc12.
What is the InChIKey of 2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
The InChIKey is IWTJAHWANHHRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-21(11-14-5-4-9-23-14)18-15-6-2-3-7-16(15)19-17(20-18)13-8-10-22-12-13/h2-10,12H,11H2,1H3.
What are the key properties of 2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine?
2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 3235248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).