7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride

C27H32ClN5O4S — CID 67538825

IUPAC7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(=O)n(CCN2CCC(N(C)c3cc(-c4cccs4)on3)CC2)c2cc(OC)ccc12.Cl
InChIInChI=1S/C27H31N5O4S.ClH/c1-28-27(34)21-16-26(33)32(22-15-19(35-3)6-7-20(21)22)13-12-31-10-8-18(9-11-31)30(2)25-17-23(36-29-25)24-5-4-14-37-24;/h4-7,14-18H,8-13H2,1-3H3,(H,28,34);1H
InChIKeyDXVUZVJVKWIFKI-UHFFFAOYSA-N
MW558.10 g/mol
LogP4.11
Rot. Bonds8

About 7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride

7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride (PubChem CID 67538825) has the molecular formula C27H32ClN5O4S and a molecular weight of 558.10 g/mol. Its IUPAC name is 7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride
PubChem CID67538825
Molecular FormulaC27H32ClN5O4S
Molecular Weight558.10 g/mol
Exact Mass557.19
IUPAC Name7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride
SMILESCNC(=O)c1cc(=O)n(CCN2CCC(N(C)c3cc(-c4cccs4)on3)CC2)c2cc(OC)ccc12.Cl
InChIInChI=1S/C27H31N5O4S.ClH/c1-28-27(34)21-16-26(33)32(22-15-19(35-3)6-7-20(21)22)13-12-31-10-8-18(9-11-31)30(2)25-17-23(36-29-25)24-5-4-14-37-24;/h4-7,14-18H,8-13H2,1-3H3,(H,28,34);1H
InChIKeyDXVUZVJVKWIFKI-UHFFFAOYSA-N
XLogP4.11
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.10
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-methoxy-N-methyl-1-[2-[4-[methyl(quinolin-2-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide
CID 67539164
N-methyl-2-oxo-1-[2-[4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide;hydrochloride
CID 67539033
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide;hydrochloride
CID 67537611
1-[2-[4-[(4-tert-butylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-4-carboxamide
CID 59397946
7-methoxy-N-methyl-2-oxo-1-[2-[4-[(4-pyrrolidin-1-ylphenyl)methylamino]piperidin-1-yl]ethyl]quinoline-4-carboxamide
CID 67537347
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-N-methyl-2-oxoquinoline-5-carboxamide;hydrochloride
CID 67539031
N-[1-(4-methoxyphenyl)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 43928905
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 59398436
7-methoxy-1-[2-[4-[(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-methylamino]piperidin-1-yl]ethyl]quinoxalin-2-one;hydrochloride
CID 67539280
tert-butyl-[1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66774842
2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867606
(E)-3-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxy-2-oxoquinolin-4-yl]prop-2-enal
CID 88867620

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride?
The IUPAC name of 7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride (CID 67538825) is 7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride is CNC(=O)c1cc(=O)n(CCN2CCC(N(C)c3cc(-c4cccs4)on3)CC2)c2cc(OC)ccc12.Cl.
What is the InChIKey of 7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride?
The InChIKey is DXVUZVJVKWIFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4S.ClH/c1-28-27(34)21-16-26(33)32(22-15-19(35-3)6-7-20(21)22)13-12-31-10-8-18(9-11-31)30(2)25-17-23(36-29-25)24-5-4-14-37-24;/h4-7,14-18H,8-13H2,1-3H3,(H,28,34);1H.
What are the key properties of 7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride?
7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride has a molecular weight of 558.10 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-methyl-1-[2-[4-[methyl-(5-thiophen-2-yl-1,2-oxazol-3-yl)amino]piperidin-1-yl]ethyl]-2-oxoquinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 67538825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).