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

C18H17N5O — CID 95598699

IUPAC[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
SMILESC[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2-n2cnnn2)C1
InChIInChI=1S/C18H17N5O/c1-13-10-14-6-2-4-8-16(14)22(11-13)18(24)15-7-3-5-9-17(15)23-12-19-20-21-23/h2-9,12-13H,10-11H2,1H3/t13-/m1/s1
InChIKeyYGRNILNRFGEXCP-CYBMUJFWSA-N
MW319.37 g/mol
LogP2.50
Rot. Bonds2

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

[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone (PubChem CID 95598699) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is [(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
PubChem CID95598699
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
SMILESC[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2-n2cnnn2)C1
InChIInChI=1S/C18H17N5O/c1-13-10-14-6-2-4-8-16(14)22(11-13)18(24)15-7-3-5-9-17(15)23-12-19-20-21-23/h2-9,12-13H,10-11H2,1H3/t13-/m1/s1
InChIKeyYGRNILNRFGEXCP-CYBMUJFWSA-N
XLogP2.50
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-aminophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63401608
(2-amino-3-chlorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 115540697
(2-amino-3-fluorophenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63499391
(2-hydrazinyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63483138
(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 71873432
(2,6-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63373065
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 25499914
(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 114918498
[4-(methylamino)-3-pyridinyl]-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81235104
(2-amino-5-hydroxyphenyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107075293
(2-amino-1,3-thiazol-4-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63522293
(4-amino-1-methylpyrazol-3-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65355538

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone (CID 95598699) is [(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone is C[C@@H]1Cc2ccccc2N(C(=O)c2ccccc2-n2cnnn2)C1.
What is the InChIKey of [(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is YGRNILNRFGEXCP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17N5O/c1-13-10-14-6-2-4-8-16(14)22(11-13)18(24)15-7-3-5-9-17(15)23-12-19-20-21-23/h2-9,12-13H,10-11H2,1H3/t13-/m1/s1.
What are the key properties of [(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone?
[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 319.37 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 95598699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).