2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

C23H28N4O — CID 126935752

IUPAC2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1CCC(NCc3ccc4[nH]ccc4c3)CC1)CCCC2
InChIInChI=1S/C23H28N4O/c28-23-14-17-3-1-2-4-22(17)26-27(23)20-8-6-19(7-9-20)25-15-16-5-10-21-18(13-16)11-12-24-21/h5,10-14,19-20,24-25H,1-4,6-9,15H2
InChIKeyVNLGOLHCIPZSBO-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.88
Rot. Bonds4

About 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one

2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (PubChem CID 126935752) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.

Molecular Properties

Compound Name2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
PubChem CID126935752
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
SMILESO=c1cc2c(nn1C1CCC(NCc3ccc4[nH]ccc4c3)CC1)CCCC2
InChIInChI=1S/C23H28N4O/c28-23-14-17-3-1-2-4-22(17)26-27(23)20-8-6-19(7-9-20)25-15-16-5-10-21-18(13-16)11-12-24-21/h5,10-14,19-20,24-25H,1-4,6-9,15H2
InChIKeyVNLGOLHCIPZSBO-UHFFFAOYSA-N
XLogP3.88
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one with MolForge

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Related Compounds

2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935754
N-(1H-indol-5-ylmethyl)cyclooctanamine
CID 102909214
2-[4-(cyclopropylmethylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935392
2-[4-[(5-methylfuran-2-yl)methylamino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935433
2-[4-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935801
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935715
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935702
5-(1H-indol-5-ylmethylamino)piperidin-2-one
CID 102910919
2-(1H-indol-5-ylmethylamino)cycloheptan-1-ol
CID 102911793
N-(1H-indol-5-ylmethyl)cyclohex-3-en-1-amine
CID 102911276
N-(1H-indol-5-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 102909363
N-(1H-indol-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 17221788

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The IUPAC name of 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one (CID 126935752) is 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one.
What is the SMILES notation for 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The canonical SMILES for 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is O=c1cc2c(nn1C1CCC(NCc3ccc4[nH]ccc4c3)CC1)CCCC2.
What is the InChIKey of 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
The InChIKey is VNLGOLHCIPZSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c28-23-14-17-3-1-2-4-22(17)26-27(23)20-8-6-19(7-9-20)25-15-16-5-10-21-18(13-16)11-12-24-21/h5,10-14,19-20,24-25H,1-4,6-9,15H2.
What are the key properties of 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one?
2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one has a molecular weight of 376.50 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-5-ylmethylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one is sourced from PubChem (CID 126935752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).