N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide

C25H34FN5O2 — CID 123491507

IUPACN-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide
SMILESCOC1CN(c2nc3c(C)c(F)ccc3cc2C(=O)/N=C(\C)N)CCC1NC1CCCCC1
InChIInChI=1S/C25H34FN5O2/c1-15-20(26)10-9-17-13-19(25(32)28-16(2)27)24(30-23(15)17)31-12-11-21(22(14-31)33-3)29-18-7-5-4-6-8-18/h9-10,13,18,21-22,29H,4-8,11-12,14H2,1-3H3,(H2,27,28,32)
InChIKeyVZHQLGUSOUASGR-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.72
Rot. Bonds5

About N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide

N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide (PubChem CID 123491507) has the molecular formula C25H34FN5O2 and a molecular weight of 455.58 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide
PubChem CID123491507
Molecular FormulaC25H34FN5O2
Molecular Weight455.58 g/mol
Exact Mass455.27
IUPAC NameN-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide
SMILESCOC1CN(c2nc3c(C)c(F)ccc3cc2C(=O)/N=C(\C)N)CCC1NC1CCCCC1
InChIInChI=1S/C25H34FN5O2/c1-15-20(26)10-9-17-13-19(25(32)28-16(2)27)24(30-23(15)17)31-12-11-21(22(14-31)33-3)29-18-7-5-4-6-8-18/h9-10,13,18,21-22,29H,4-8,11-12,14H2,1-3H3,(H2,27,28,32)
InChIKeyVZHQLGUSOUASGR-UHFFFAOYSA-N
XLogP3.72
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[amino(cyclopropyl)methylidene]-2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 118263971
1-[2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-6-methylquinolin-3-yl]ethanone
CID 118264059
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N,N,6-trimethylquinoline-3-carboxamide
CID 118263848
methyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 118264148
N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 144575615
(Z)-1-[2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methyl-3-pyridinyl]-N'-methylethene-1,2-diamine
CID 139324738
N-(1-aminoethyl)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123966369
N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
CID 118264143
2-[(3R,4S)-4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-6-methylquinoline-3-carboxamide
CID 140681749
N-[(3R)-1-[3-[(1S)-1-aminoethyl]-7-fluoro-8-methylquinolin-2-yl]pyrrolidin-3-yl]acetamide
CID 66777185
N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123692323
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide
CID 149051942

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide (CID 123491507) is N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide is COC1CN(c2nc3c(C)c(F)ccc3cc2C(=O)/N=C(\C)N)CCC1NC1CCCCC1.
What is the InChIKey of N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide?
The InChIKey is VZHQLGUSOUASGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN5O2/c1-15-20(26)10-9-17-13-19(25(32)28-16(2)27)24(30-23(15)17)31-12-11-21(22(14-31)33-3)29-18-7-5-4-6-8-18/h9-10,13,18,21-22,29H,4-8,11-12,14H2,1-3H3,(H2,27,28,32).
What are the key properties of N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide?
N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-7-fluoro-8-methylquinoline-3-carboxamide is sourced from PubChem (CID 123491507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).