1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone

C23H26N6O2 — CID 646381

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)N1CCCc2ccccc21
InChIInChI=1S/C23H26N6O2/c30-22(28-11-3-5-19-4-1-2-6-21(19)28)17-29-25-23(24-26-29)20-9-7-18(8-10-20)16-27-12-14-31-15-13-27/h1-2,4,6-10H,3,5,11-17H2
InChIKeyAOMCPYMEOWTJAR-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.15
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone (PubChem CID 646381) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone
PubChem CID646381
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone
SMILESO=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)N1CCCc2ccccc21
InChIInChI=1S/C23H26N6O2/c30-22(28-11-3-5-19-4-1-2-6-21(19)28)17-29-25-23(24-26-29)20-9-7-18(8-10-20)16-27-12-14-31-15-13-27/h1-2,4,6-10H,3,5,11-17H2
InChIKeyAOMCPYMEOWTJAR-UHFFFAOYSA-N
XLogP2.15
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 2433301
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]ethanone
CID 1129875
2-[5-(4-butoxyphenyl)tetrazol-2-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 3136446
2-[5-(4-bromophenyl)tetrazol-2-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7589240
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 30386021
4-[[4-[2-[(4-chlorophenyl)methyl]tetrazol-5-yl]phenyl]methyl]morpholine
CID 649087
N-(2,3-dimethylphenyl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]acetamide
CID 1157244
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 39470681
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-nitrophenyl)-1,2,4-triazol-1-yl]ethanone
CID 60617604
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 30962950
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 36732041

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone (CID 646381) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone is O=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone?
The InChIKey is AOMCPYMEOWTJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c30-22(28-11-3-5-19-4-1-2-6-21(19)28)17-29-25-23(24-26-29)20-9-7-18(8-10-20)16-27-12-14-31-15-13-27/h1-2,4,6-10H,3,5,11-17H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone has a molecular weight of 418.50 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]ethanone is sourced from PubChem (CID 646381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).