7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide

C18H21N7O2 — CID 129276274

IUPAC7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(c4nnnn4C)CC3)cnc2c1
InChIInChI=1S/C18H21N7O2/c1-24-18(21-22-23-24)25-7-5-14(6-8-25)20-17(26)13-9-12-3-4-15(27-2)10-16(12)19-11-13/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,26)
InChIKeyORJFHSSUJUZPLN-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.17
Rot. Bonds4

About 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide

7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide (PubChem CID 129276274) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide
PubChem CID129276274
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CCN(c4nnnn4C)CC3)cnc2c1
InChIInChI=1S/C18H21N7O2/c1-24-18(21-22-23-24)25-7-5-14(6-8-25)20-17(26)13-9-12-3-4-15(27-2)10-16(12)19-11-13/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,26)
InChIKeyORJFHSSUJUZPLN-UHFFFAOYSA-N
XLogP1.17
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-Amino-1-Tert-Butyl-3-(7-Ethoxyquinolin-3-Yl)-1h-Pyrazole-4-Carboxamide
CID 73254853
5-Amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 86342042
[2-Azanyl-4-(trifluoromethyloxy)phenyl]-[4-(7-methoxyquinazolin-4-yl)piperidin-1-yl]methanone
CID 137333967
5-Amino-3-(7-ethoxyquinolin-3-yl)-1-propan-2-ylpyrazole-4-carboxamide
CID 86342141
Piperazine, 1-((6-methoxy-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
CID 453390
5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644886
N-(3-methoxyphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]pyridin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644890
2-(4-ethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-quinolinecarboxamide
CID 3728297
6-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]pyridine-3-carboxamide
CID 18436125
5-Amino-1-tert-butyl-3-(7-propoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86341929
5-Amino-1-cyclohexyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86342041
5-Amino-1-cycloheptyl-3-(7-ethoxyquinolin-3-yl)pyrazole-4-carboxamide
CID 86342043

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide (CID 129276274) is 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide is COc1ccc2cc(C(=O)NC3CCN(c4nnnn4C)CC3)cnc2c1.
What is the InChIKey of 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
The InChIKey is ORJFHSSUJUZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-24-18(21-22-23-24)25-7-5-14(6-8-25)20-17(26)13-9-12-3-4-15(27-2)10-16(12)19-11-13/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,26).
What are the key properties of 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide?
7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]quinoline-3-carboxamide is sourced from PubChem (CID 129276274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).