4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide

C18H16F2N4O2 — CID 22334913

IUPAC4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide
SMILESCOCCNC(=O)c1nc(Nc2ccc(F)cc2F)c2ccccc2n1
InChIInChI=1S/C18H16F2N4O2/c1-26-9-8-21-18(25)17-22-14-5-3-2-4-12(14)16(24-17)23-15-7-6-11(19)10-13(15)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyGRDUXUZUXVREJW-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.03
Rot. Bonds6

About 4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide

4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide (PubChem CID 22334913) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide
PubChem CID22334913
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide
SMILESCOCCNC(=O)c1nc(Nc2ccc(F)cc2F)c2ccccc2n1
InChIInChI=1S/C18H16F2N4O2/c1-26-9-8-21-18(25)17-22-14-5-3-2-4-12(14)16(24-17)23-15-7-6-11(19)10-13(15)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyGRDUXUZUXVREJW-UHFFFAOYSA-N
XLogP3.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide?
The IUPAC name of 4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide (CID 22334913) is 4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide.
What is the SMILES notation for 4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide?
The canonical SMILES for 4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide is COCCNC(=O)c1nc(Nc2ccc(F)cc2F)c2ccccc2n1.
What is the InChIKey of 4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide?
The InChIKey is GRDUXUZUXVREJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c1-26-9-8-21-18(25)17-22-14-5-3-2-4-12(14)16(24-17)23-15-7-6-11(19)10-13(15)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of 4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide?
4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide has a molecular weight of 358.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluoroanilino)-N-(2-methoxyethyl)quinazoline-2-carboxamide is sourced from PubChem (CID 22334913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).