N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide

C23H31N5O2 — CID 163807378

IUPACN-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide
SMILES[H]/N=C(\C)NC(=O)c1cc2cccc(C)c2nc1N1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C23H31N5O2/c1-15-4-3-5-17-14-20(23(29)25-16(2)24)22(27-21(15)17)28-10-6-18(7-11-28)26-19-8-12-30-13-9-19/h3-5,14,18-19,26H,6-13H2,1-2H3,(H2,24,25,29)
InChIKeyNKERTQPCPKYJLD-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.01
Rot. Bonds4

About N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide

N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide (PubChem CID 163807378) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide
PubChem CID163807378
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide
SMILES[H]/N=C(\C)NC(=O)c1cc2cccc(C)c2nc1N1CCC(NC2CCOCC2)CC1
InChIInChI=1S/C23H31N5O2/c1-15-4-3-5-17-14-20(23(29)25-16(2)24)22(27-21(15)17)28-10-6-18(7-11-28)26-19-8-12-30-13-9-19/h3-5,14,18-19,26H,6-13H2,1-2H3,(H2,24,25,29)
InChIKeyNKERTQPCPKYJLD-UHFFFAOYSA-N
XLogP3.01
TPSA90.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[7-fluoro-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboximidoyl]acetamide
CID 139324737
2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide
CID 140681749
N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 139324686
N-(1-aminoethyl)-6-methyl-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 123963874
N-(1-aminoethyl)-2-[4-(oxan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 123308529
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide
CID 149051942
1-[6,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 129252264
3-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;3-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoxaline-2-carboxamide;2-[(3R,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;ethyl 5-[2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylquinolin-3-yl]-1,2,4-oxadiazole-3-carboxylate;1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 159213263
6-fluoro-N'-(1-hydroxyethyl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboximidamide
CID 139324479
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide
CID 91781227
2-[(3R,4S)-4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-N-(cyclopropanecarboximidoyl)-6-methylquinoline-3-carboxamide
CID 163668702
N-[2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboximidoyl]acetamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-fluoroquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoylquinoline-3-carboxamide;2-[(3R,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methyl-N-propanimidoylquinoline-3-carboxamide;1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-methylquinolin-2-yl]-3-methoxy-N-(oxan-4-yl)piperidin-4-amine
CID 157059320

Frequently Asked Questions

What is the IUPAC name of N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide?
The IUPAC name of N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide (CID 163807378) is N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide?
The canonical SMILES for N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide is [H]/N=C(\C)NC(=O)c1cc2cccc(C)c2nc1N1CCC(NC2CCOCC2)CC1.
What is the InChIKey of N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide?
The InChIKey is NKERTQPCPKYJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-15-4-3-5-17-14-20(23(29)25-16(2)24)22(27-21(15)17)28-10-6-18(7-11-28)26-19-8-12-30-13-9-19/h3-5,14,18-19,26H,6-13H2,1-2H3,(H2,24,25,29).
What are the key properties of N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide?
N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide is sourced from PubChem (CID 163807378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).