1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide

C24H28FN3O2 — CID 126935616

IUPAC1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCCC3)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O2/c25-18-7-5-17(6-8-18)24(13-14-24)23(30)26-19-9-11-20(12-10-19)28-22(29)15-16-3-1-2-4-21(16)27-28/h5-8,15,19-20H,1-4,9-14H2,(H,26,30)
InChIKeyAQZXMKWMYSLUED-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide (PubChem CID 126935616) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide
PubChem CID126935616
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide
SMILESO=C(NC1CCC(n2nc3c(cc2=O)CCCC3)CC1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H28FN3O2/c25-18-7-5-17(6-8-18)24(13-14-24)23(30)26-19-9-11-20(12-10-19)28-22(29)15-16-3-1-2-4-21(16)27-28/h5-8,15,19-20H,1-4,9-14H2,(H,26,30)
InChIKeyAQZXMKWMYSLUED-UHFFFAOYSA-N
XLogP3.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide (CID 126935616) is 1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide is O=C(NC1CCC(n2nc3c(cc2=O)CCCC3)CC1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide?
The InChIKey is AQZXMKWMYSLUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-18-7-5-17(6-8-18)24(13-14-24)23(30)26-19-9-11-20(12-10-19)28-22(29)15-16-3-1-2-4-21(16)27-28/h5-8,15,19-20H,1-4,9-14H2,(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126935616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).