N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine

C20H18N4O — CID 4793492

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccc(CN(C)c2nc(-c3cccnc3)nc3ccccc23)o1
InChIInChI=1S/C20H18N4O/c1-14-9-10-16(25-14)13-24(2)20-17-7-3-4-8-18(17)22-19(23-20)15-6-5-11-21-12-15/h3-12H,13H2,1-2H3
InChIKeyZEADURGBYCHTOU-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.23
Rot. Bonds4

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 4793492) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID4793492
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCc1ccc(CN(C)c2nc(-c3cccnc3)nc3ccccc23)o1
InChIInChI=1S/C20H18N4O/c1-14-9-10-16(25-14)13-24(2)20-17-7-3-4-8-18(17)22-19(23-20)15-6-5-11-21-12-15/h3-12H,13H2,1-2H3
InChIKeyZEADURGBYCHTOU-UHFFFAOYSA-N
XLogP4.23
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 4793492) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine is Cc1ccc(CN(C)c2nc(-c3cccnc3)nc3ccccc23)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is ZEADURGBYCHTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-9-10-16(25-14)13-24(2)20-17-7-3-4-8-18(17)22-19(23-20)15-6-5-11-21-12-15/h3-12H,13H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 330.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 4793492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).