2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine

C28H27N7O3S — CID 57093982

IUPAC2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine
SMILESCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(S(=O)(=O)N3CCOCC3)cccc2n1
InChIInChI=1S/C28H27N7O3S/c1-19-17-25(27-24(30-19)7-4-8-26(27)39(36,37)35-13-15-38-16-14-35)29-18-20-9-11-21(12-10-20)22-5-2-3-6-23(22)28-31-33-34-32-28/h2-12,17H,13-16,18H2,1H3,(H,29,30)(H,31,32,33,34)
InChIKeyPDZPTQHOJGTQIE-UHFFFAOYSA-N
MW541.64 g/mol
LogP4.02
Rot. Bonds7

About 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine

2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine (PubChem CID 57093982) has the molecular formula C28H27N7O3S and a molecular weight of 541.64 g/mol. Its IUPAC name is 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine
PubChem CID57093982
Molecular FormulaC28H27N7O3S
Molecular Weight541.64 g/mol
Exact Mass541.19
IUPAC Name2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine
SMILESCc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(S(=O)(=O)N3CCOCC3)cccc2n1
InChIInChI=1S/C28H27N7O3S/c1-19-17-25(27-24(30-19)7-4-8-26(27)39(36,37)35-13-15-38-16-14-35)29-18-20-9-11-21(12-10-20)22-5-2-3-6-23(22)28-31-33-34-32-28/h2-12,17H,13-16,18H2,1H3,(H,29,30)(H,31,32,33,34)
InChIKeyPDZPTQHOJGTQIE-UHFFFAOYSA-N
XLogP4.02
TPSA125.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.64
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine with MolForge

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Related Compounds

2,5,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyridine-3-carboxylic acid;hydrochloride
CID 67909695
5-[2-[4-(2,2-dimethylpropyl)phenyl]phenyl]-2H-tetrazole;morpholine
CID 159487729
4-hydroxy-5,7-dimethyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,8-naphthyridin-2-one
CID 70322980
[3-(3-methylphenyl)phenyl]-[4-[2-(2H-tetrazol-5-yl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 166373975
7-methyl-6-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzo[cd]indole-2,6-diamine
CID 70293137
2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]imidazo[1,5-a]pyrimidine-6-carboxamide
CID 57119373
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 10315945
4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid
CID 18929695
N-[5-ethyl-7-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 19976008
N-(furan-2-ylmethyl)-4-[(4-methylphenyl)methylamino]-3-morpholin-4-ylsulfonylbenzamide
CID 20965247
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
3-(2-morpholin-4-ylsulfonylphenyl)aniline
CID 66864744

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine?
The IUPAC name of 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine (CID 57093982) is 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine is Cc1cc(NCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2c(S(=O)(=O)N3CCOCC3)cccc2n1.
What is the InChIKey of 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine?
The InChIKey is PDZPTQHOJGTQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N7O3S/c1-19-17-25(27-24(30-19)7-4-8-26(27)39(36,37)35-13-15-38-16-14-35)29-18-20-9-11-21(12-10-20)22-5-2-3-6-23(22)28-31-33-34-32-28/h2-12,17H,13-16,18H2,1H3,(H,29,30)(H,31,32,33,34).
What are the key properties of 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine?
2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine has a molecular weight of 541.64 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-morpholin-4-ylsulfonyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinolin-4-amine is sourced from PubChem (CID 57093982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).