2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid

C25H20N6O2 — CID 54345927

IUPAC2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
SMILESCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(C(=O)O)ccc2n1
InChIInChI=1S/C25H20N6O2/c1-15-12-23(21-13-18(25(32)33)10-11-22(21)27-15)26-14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)24-28-30-31-29-24/h2-13H,14H2,1H3,(H,26,27)(H,32,33)(H,28,29,30,31)
InChIKeyUCHVAOCSFBDTDS-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.70
Rot. Bonds6

About 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid

2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid (PubChem CID 54345927) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
PubChem CID54345927
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
SMILESCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(C(=O)O)ccc2n1
InChIInChI=1S/C25H20N6O2/c1-15-12-23(21-13-18(25(32)33)10-11-22(21)27-15)26-14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)24-28-30-31-29-24/h2-13H,14H2,1H3,(H,26,27)(H,32,33)(H,28,29,30,31)
InChIKeyUCHVAOCSFBDTDS-UHFFFAOYSA-N
XLogP4.70
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid with MolForge

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Related Compounds

4-[[4-(2-carboxyphenyl)phenyl]methylamino]-2-methylquinoline-6-carboxylic acid
CID 54071769
4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid
CID 18929695
2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine
CID 57093982
2,5,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyridine-3-carboxylic acid;hydrochloride
CID 67909695
6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 19779318
6-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinoline-4-carboxylic acid
CID 19814451
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 10315945
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamoyl]benzoic acid
CID 54108331
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate
CID 141085923
butyl 2-[4-[[(2-methylquinolin-4-yl)amino]methyl]phenyl]benzoate
CID 67912201

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid?
The IUPAC name of 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid (CID 54345927) is 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid?
The canonical SMILES for 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid is Cc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(C(=O)O)ccc2n1.
What is the InChIKey of 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid?
The InChIKey is UCHVAOCSFBDTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-15-12-23(21-13-18(25(32)33)10-11-22(21)27-15)26-14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)24-28-30-31-29-24/h2-13H,14H2,1H3,(H,26,27)(H,32,33)(H,28,29,30,31).
What are the key properties of 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid?
2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid has a molecular weight of 436.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid is sourced from PubChem (CID 54345927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).