4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide

C24H24FN5O2 — CID 122423936

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide
SMILESCCOc1nc(-c2ccc(F)cc2)nc2cc(C(=O)NCC(C)Cc3ncc[nH]3)ccc12
InChIInChI=1S/C24H24FN5O2/c1-3-32-24-19-9-6-17(23(31)28-14-15(2)12-21-26-10-11-27-21)13-20(19)29-22(30-24)16-4-7-18(25)8-5-16/h4-11,13,15H,3,12,14H2,1-2H3,(H,26,27)(H,28,31)
InChIKeyWRHVRRLPOIGCBE-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.17
Rot. Bonds8

About 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide

4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide (PubChem CID 122423936) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide
PubChem CID122423936
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide
SMILESCCOc1nc(-c2ccc(F)cc2)nc2cc(C(=O)NCC(C)Cc3ncc[nH]3)ccc12
InChIInChI=1S/C24H24FN5O2/c1-3-32-24-19-9-6-17(23(31)28-14-15(2)12-21-26-10-11-27-21)13-20(19)29-22(30-24)16-4-7-18(25)8-5-16/h4-11,13,15H,3,12,14H2,1-2H3,(H,26,27)(H,28,31)
InChIKeyWRHVRRLPOIGCBE-UHFFFAOYSA-N
XLogP4.17
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide (CID 122423936) is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide is CCOc1nc(-c2ccc(F)cc2)nc2cc(C(=O)NCC(C)Cc3ncc[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide?
The InChIKey is WRHVRRLPOIGCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-3-32-24-19-9-6-17(23(31)28-14-15(2)12-21-26-10-11-27-21)13-20(19)29-22(30-24)16-4-7-18(25)8-5-16/h4-11,13,15H,3,12,14H2,1-2H3,(H,26,27)(H,28,31).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-imidazol-2-yl)-2-methylpropyl]quinazoline-7-carboxamide is sourced from PubChem (CID 122423936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).