4-methylidene-3H-quinazoline-2,7-dicarboxamide

C11H10N4O2 — CID 143679492

IUPAC4-methylidene-3H-quinazoline-2,7-dicarboxamide
SMILESC=C1NC(C(N)=O)=Nc2cc(C(N)=O)ccc21
InChIInChI=1S/C11H10N4O2/c1-5-7-3-2-6(9(12)16)4-8(7)15-11(14-5)10(13)17/h2-4H,1H2,(H2,12,16)(H2,13,17)(H,14,15)
InChIKeyFVRFRDGDLOEHRQ-UHFFFAOYSA-N
MW230.23 g/mol
LogP-0.13
Rot. Bonds2

About 4-methylidene-3H-quinazoline-2,7-dicarboxamide

4-methylidene-3H-quinazoline-2,7-dicarboxamide (PubChem CID 143679492) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-methylidene-3H-quinazoline-2,7-dicarboxamide.

Molecular Properties

Compound Name4-methylidene-3H-quinazoline-2,7-dicarboxamide
PubChem CID143679492
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name4-methylidene-3H-quinazoline-2,7-dicarboxamide
SMILESC=C1NC(C(N)=O)=Nc2cc(C(N)=O)ccc21
InChIInChI=1S/C11H10N4O2/c1-5-7-3-2-6(9(12)16)4-8(7)15-11(14-5)10(13)17/h2-4H,1H2,(H2,12,16)(H2,13,17)(H,14,15)
InChIKeyFVRFRDGDLOEHRQ-UHFFFAOYSA-N
XLogP-0.13
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3H-quinazoline-2,7-dicarboxamide?
The IUPAC name of 4-methylidene-3H-quinazoline-2,7-dicarboxamide (CID 143679492) is 4-methylidene-3H-quinazoline-2,7-dicarboxamide.
What is the SMILES notation for 4-methylidene-3H-quinazoline-2,7-dicarboxamide?
The canonical SMILES for 4-methylidene-3H-quinazoline-2,7-dicarboxamide is C=C1NC(C(N)=O)=Nc2cc(C(N)=O)ccc21.
What is the InChIKey of 4-methylidene-3H-quinazoline-2,7-dicarboxamide?
The InChIKey is FVRFRDGDLOEHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-5-7-3-2-6(9(12)16)4-8(7)15-11(14-5)10(13)17/h2-4H,1H2,(H2,12,16)(H2,13,17)(H,14,15).
What are the key properties of 4-methylidene-3H-quinazoline-2,7-dicarboxamide?
4-methylidene-3H-quinazoline-2,7-dicarboxamide has a molecular weight of 230.23 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3H-quinazoline-2,7-dicarboxamide is sourced from PubChem (CID 143679492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).