4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide

C16H12F2N4O — CID 66763104

IUPAC4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cc(F)cc(F)c3)ncnc12
InChIInChI=1S/C16H12F2N4O/c17-10-4-9(5-11(18)6-10)7-20-16-13-3-1-2-12(15(19)23)14(13)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
InChIKeySXRUTBTWKQVBSM-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.62
Rot. Bonds4

About 4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide

4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide (PubChem CID 66763104) has the molecular formula C16H12F2N4O and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide
PubChem CID66763104
Molecular FormulaC16H12F2N4O
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cc(F)cc(F)c3)ncnc12
InChIInChI=1S/C16H12F2N4O/c17-10-4-9(5-11(18)6-10)7-20-16-13-3-1-2-12(15(19)23)14(13)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22)
InChIKeySXRUTBTWKQVBSM-UHFFFAOYSA-N
XLogP2.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide (CID 66763104) is 4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cc(F)cc(F)c3)ncnc12.
What is the InChIKey of 4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide?
The InChIKey is SXRUTBTWKQVBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4O/c17-10-4-9(5-11(18)6-10)7-20-16-13-3-1-2-12(15(19)23)14(13)21-8-22-16/h1-6,8H,7H2,(H2,19,23)(H,20,21,22).
What are the key properties of 4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide?
4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).