1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one

C13H15N5O — CID 72917705

IUPAC1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCn1cnnn1
InChIInChI=1S/C13H15N5O/c19-13-7-6-11-4-1-2-5-12(11)18(13)9-3-8-17-10-14-15-16-17/h1-2,4-5,10H,3,6-9H2
InChIKeyKSCNOVMGBXUPMF-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.04
Rot. Bonds4

About 1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one

1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one (PubChem CID 72917705) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one
PubChem CID72917705
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCn1cnnn1
InChIInChI=1S/C13H15N5O/c19-13-7-6-11-4-1-2-5-12(11)18(13)9-3-8-17-10-14-15-16-17/h1-2,4-5,10H,3,6-9H2
InChIKeyKSCNOVMGBXUPMF-UHFFFAOYSA-N
XLogP1.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylphenyl)-4-{1-[3-(1H-tetrazol-1-yl)propanoyl]-3-piperidinyl}piperazine
CID 24790596
Piperidin-1-yl-(4-tetrazol-1-yl-phenyl)-methanone
CID 817486
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(1-ethyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 855244
(4-Methyl-piperidin-1-yl)-(4-tetrazol-1-yl-phenyl)-methanone
CID 864769
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452251
1-[(2-Fluorophenyl)methyl]-6-(1,2,4-triazol-4-yl)-3,4-dihydroquinolin-2-one
CID 76332849
(3-(1H-tetrazol-1-yl)phenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 16648332
1-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-3,4-dihydroquinolin-2(1H)-one
CID 72847028
1-Decyl-6-(1,2,4-triazol-4-yl)-3,4-dihydroquinolin-2-one
CID 76311117
1-Benzyl-6-(1,2,4-triazol-4-yl)-3,4-dihydroquinolin-2-one
CID 76311118
1-[(4-Methylphenyl)methyl]-6-(1,2,4-triazol-4-yl)-3,4-dihydroquinolin-2-one
CID 76311126
1-Heptyl-6-(1,2,4-triazol-4-yl)-3,4-dihydroquinolin-2-one
CID 76318302

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one (CID 72917705) is 1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCn1cnnn1.
What is the InChIKey of 1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is KSCNOVMGBXUPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c19-13-7-6-11-4-1-2-5-12(11)18(13)9-3-8-17-10-14-15-16-17/h1-2,4-5,10H,3,6-9H2.
What are the key properties of 1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one?
1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 257.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tetrazol-1-yl)propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 72917705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).