2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one

C24H28N4O — CID 137255666

IUPAC2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCNC2CCN(c3ccc4c(c3)CCC4)CC2)nc2ccccc12
InChIInChI=1S/C24H28N4O/c29-24-21-6-1-2-7-22(21)26-23(27-24)10-13-25-19-11-14-28(15-12-19)20-9-8-17-4-3-5-18(17)16-20/h1-2,6-9,16,19,25H,3-5,10-15H2,(H,26,27,29)
InChIKeyKGCCKXPRYUWIDF-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one

2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one (PubChem CID 137255666) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
PubChem CID137255666
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CCNC2CCN(c3ccc4c(c3)CCC4)CC2)nc2ccccc12
InChIInChI=1S/C24H28N4O/c29-24-21-6-1-2-7-22(21)26-23(27-24)10-13-25-19-11-14-28(15-12-19)20-9-8-17-4-3-5-18(17)16-20/h1-2,6-9,16,19,25H,3-5,10-15H2,(H,26,27,29)
InChIKeyKGCCKXPRYUWIDF-UHFFFAOYSA-N
XLogP3.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one
CID 137253178
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]cyclohexanecarboxamide
CID 136767866
2-[2-[3-(methylamino)piperidin-1-yl]ethyl]-3H-quinazolin-4-one;hydrochloride
CID 137136922
[3-[[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]methyl]phenyl]methanol
CID 131889725
(2S)-2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]-3-phenylpropanamide
CID 131906221
7-[(3R)-3-[4-(2,3-dihydro-1H-inden-5-yl)piperazin-1-yl]cyclopenten-1-yl]-6H-1,6-naphthyridin-5-one
CID 126619594
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135739653
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136733737
2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3H-quinazolin-4-one
CID 135612921
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
[4-(2-oxopyrrolidin-1-yl)phenyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 137306620

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one (CID 137255666) is 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one is O=c1[nH]c(CCNC2CCN(c3ccc4c(c3)CCC4)CC2)nc2ccccc12.
What is the InChIKey of 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is KGCCKXPRYUWIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c29-24-21-6-1-2-7-22(21)26-23(27-24)10-13-25-19-11-14-28(15-12-19)20-9-8-17-4-3-5-18(17)16-20/h1-2,6-9,16,19,25H,3-5,10-15H2,(H,26,27,29).
What are the key properties of 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one?
2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 388.52 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(2,3-dihydro-1H-inden-5-yl)piperidin-4-yl]amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137255666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).