3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone

C17H15N5O — CID 16648332

IUPAC3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCCc2ccccc21
InChIInChI=1S/C17H15N5O/c23-17(21-10-4-7-13-5-1-2-9-16(13)21)14-6-3-8-15(11-14)22-12-18-19-20-22/h1-3,5-6,8-9,11-12H,4,7,10H2
InChIKeyYPCKUFXECXYLIU-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.26
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 16648332) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID16648332
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCCc2ccccc21
InChIInChI=1S/C17H15N5O/c23-17(21-10-4-7-13-5-1-2-9-16(13)21)14-6-3-8-15(11-14)22-12-18-19-20-22/h1-3,5-6,8-9,11-12H,4,7,10H2
InChIKeyYPCKUFXECXYLIU-UHFFFAOYSA-N
XLogP2.26
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(phenylcarbonylamino)(3-(1,2,3,4-tetraazolyl)phenyl)carboxamide
CID 866071
4-phenyltetrazolo[1,5-a]quinazolin-5(4H)-one
CID 650278
4-(o-tolyl)tetrazolo[1,5-a]quinazolin-5(4H)-one
CID 654449
1-(diphenylmethyl)-4-[4-(1H-tetrazol-1-yl)benzoyl]piperazine
CID 2355819
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
CID 24686426
N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide
CID 45198838
N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 45488278
N-[(4-methylphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 2462594
N-(2-butan-2-ylphenyl)-3-(tetrazol-1-yl)benzamide
CID 16316731
4-phenyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 2363388
N,N-dicyclohexyl-4-(1H-tetrazol-1-yl)benzamide
CID 1151687
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-3-(tetrazol-1-yl)benzamide
CID 25102686

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone (CID 16648332) is 3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is YPCKUFXECXYLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c23-17(21-10-4-7-13-5-1-2-9-16(13)21)14-6-3-8-15(11-14)22-12-18-19-20-22/h1-3,5-6,8-9,11-12H,4,7,10H2.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 305.34 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 16648332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).