2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C20H25FN4O2 — CID 71836003

IUPAC2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)Nc1ccc(OC)c(F)c1)C2
InChIInChI=1S/C20H25FN4O2/c1-4-25(5-2)20-22-12-14-10-13(6-8-17(14)24-20)19(26)23-15-7-9-18(27-3)16(21)11-15/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,23,26)
InChIKeyHYPWMKQBOFYQJS-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.21
Rot. Bonds6

About 2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71836003) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71836003
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCCN(CC)c1ncc2c(n1)CCC(C(=O)Nc1ccc(OC)c(F)c1)C2
InChIInChI=1S/C20H25FN4O2/c1-4-25(5-2)20-22-12-14-10-13(6-8-17(14)24-20)19(26)23-15-7-9-18(27-3)16(21)11-15/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,23,26)
InChIKeyHYPWMKQBOFYQJS-UHFFFAOYSA-N
XLogP3.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71836003) is 2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is CCN(CC)c1ncc2c(n1)CCC(C(=O)Nc1ccc(OC)c(F)c1)C2.
What is the InChIKey of 2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is HYPWMKQBOFYQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-4-25(5-2)20-22-12-14-10-13(6-8-17(14)24-20)19(26)23-15-7-9-18(27-3)16(21)11-15/h7,9,11-13H,4-6,8,10H2,1-3H3,(H,23,26).
What are the key properties of 2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 372.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71836003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).