azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen

C25H41N5O — CID 144575824

IUPACazane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen
SMILESC=C.Cc1ccc2nc(N3CCC(NCC4CCCCC4)CC3)c(C(N)=O)cc2c1.N.[H][H]
InChIInChI=1S/C23H32N4O.C2H4.H3N.H2/c1-16-7-8-21-18(13-16)14-20(22(24)28)23(26-21)27-11-9-19(10-12-27)25-15-17-5-3-2-4-6-17;1-2;;/h7-8,13-14,17,19,25H,2-6,9-12,15H2,1H3,(H2,24,28);1-2H2;1H3;1H
InChIKeyGPFILXCMFOVAFX-UHFFFAOYSA-N
MW427.64 g/mol
LogP4.99
Rot. Bonds5

About azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen

azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen (PubChem CID 144575824) has the molecular formula C25H41N5O and a molecular weight of 427.64 g/mol. Its IUPAC name is azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen.

Molecular Properties

Compound Nameazane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen
PubChem CID144575824
Molecular FormulaC25H41N5O
Molecular Weight427.64 g/mol
Exact Mass427.33
IUPAC Nameazane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen
SMILESC=C.Cc1ccc2nc(N3CCC(NCC4CCCCC4)CC3)c(C(N)=O)cc2c1.N.[H][H]
InChIInChI=1S/C23H32N4O.C2H4.H3N.H2/c1-16-7-8-21-18(13-16)14-20(22(24)28)23(26-21)27-11-9-19(10-12-27)25-15-17-5-3-2-4-6-17;1-2;;/h7-8,13-14,17,19,25H,2-6,9-12,15H2,1H3,(H2,24,28);1-2H2;1H3;1H
InChIKeyGPFILXCMFOVAFX-UHFFFAOYSA-N
XLogP4.99
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen with MolForge

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Related Compounds

cyclopropylmethanimine;6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinoline-3-carboxamide;molecular hydrogen
CID 144576041
6-methyl-2-[4-[(4-methyloxan-4-yl)amino]piperidin-1-yl]quinoline-3-carboxamide
CID 144575495
N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
CID 118263989
[N-ethanimidoyl-C-[6-methyl-2-[4-(spiro[2.5]octan-8-ylmethylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
CID 144575591
N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
CID 118264143
1-[2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinolin-3-yl]ethanone
CID 118264059
propan-2-yl 2-[4-(cyclohexylamino)-3-(hydroxymethyl)piperidin-1-yl]-6-methylquinoline-3-carboxylate
CID 118263864
[N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
CID 149467803
[(Z)-N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
CID 144575717
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide
CID 118263848
N-(1-aminoethyl)-2-[4-(cyclohexylmethyl)-3-(hydroxymethyl)piperazin-1-yl]-6-methylquinoline-3-carboxamide
CID 123980441
N-(1-aminoethyl)-6-methyl-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 123963874

Frequently Asked Questions

What is the IUPAC name of azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen?
The IUPAC name of azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen (CID 144575824) is azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen.
What is the SMILES notation for azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen?
The canonical SMILES for azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen is C=C.Cc1ccc2nc(N3CCC(NCC4CCCCC4)CC3)c(C(N)=O)cc2c1.N.[H][H].
What is the InChIKey of azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen?
The InChIKey is GPFILXCMFOVAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O.C2H4.H3N.H2/c1-16-7-8-21-18(13-16)14-20(22(24)28)23(26-21)27-11-9-19(10-12-27)25-15-17-5-3-2-4-6-17;1-2;;/h7-8,13-14,17,19,25H,2-6,9-12,15H2,1H3,(H2,24,28);1-2H2;1H3;1H.
What are the key properties of azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen?
azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen has a molecular weight of 427.64 g/mol, XLogP of 4.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-[4-(cyclohexylmethylamino)piperidin-1-yl]-6-methylquinoline-3-carboxamide;ethene;molecular hydrogen is sourced from PubChem (CID 144575824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).