N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide

C21H27N5O2 — CID 139324686

IUPACN-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
SMILESC/C(N)=N\C(=O)c1cc2ccccc2nc1N1CCC(NC2CCOC2)CC1
InChIInChI=1S/C21H27N5O2/c1-14(22)23-21(27)18-12-15-4-2-3-5-19(15)25-20(18)26-9-6-16(7-10-26)24-17-8-11-28-13-17/h2-5,12,16-17,24H,6-11,13H2,1H3,(H2,22,23,27)
InChIKeyKJPUZUPKDQMBQW-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.10
Rot. Bonds4

About N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide

N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide (PubChem CID 139324686) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
PubChem CID139324686
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
SMILESC/C(N)=N\C(=O)c1cc2ccccc2nc1N1CCC(NC2CCOC2)CC1
InChIInChI=1S/C21H27N5O2/c1-14(22)23-21(27)18-12-15-4-2-3-5-19(15)25-20(18)26-9-6-16(7-10-26)24-17-8-11-28-13-17/h2-5,12,16-17,24H,6-11,13H2,1H3,(H2,22,23,27)
InChIKeyKJPUZUPKDQMBQW-UHFFFAOYSA-N
XLogP2.10
TPSA92.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.10
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'}

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Related Compounds

N-(1-aminoethyl)-2-[4-(oxan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 123308529
N-(1-aminoethyl)-6-methyl-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 123963874
N-(1-aminoethylidene)-2-[4-[[(1S,2S)-2-hydroxycyclopentyl]amino]piperidin-1-yl]-6-methylquinoline-3-carboxamide
CID 118264143
N-(1-aminoethylidene)-2-[4-(cyclohexylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 144575615
N-[amino-[2-[4-(cyclopentylamino)piperidin-1-yl]-6-methylquinolin-3-yl]methylidene]acetamide
CID 118263989
6-fluoro-N'-(1-hydroxyethyl)-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboximidamide
CID 139324479
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone
CID 154608742
N-[7-fluoro-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboximidoyl]acetamide
CID 139324737
N-(1-aminoethylidene)-6-ethyl-8-fluoro-4-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 142432357
N-(1-aminoethylidene)-6-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123842941
N-ethanimidoyl-8-methyl-2-[4-(oxan-4-ylamino)piperidin-1-yl]quinoline-3-carboxamide
CID 163807378

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide?
The IUPAC name of N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide (CID 139324686) is N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide?
The canonical SMILES for N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide is C/C(N)=N\C(=O)c1cc2ccccc2nc1N1CCC(NC2CCOC2)CC1.
What is the InChIKey of N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide?
The InChIKey is KJPUZUPKDQMBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14(22)23-21(27)18-12-15-4-2-3-5-19(15)25-20(18)26-9-6-16(7-10-26)24-17-8-11-28-13-17/h2-5,12,16-17,24H,6-11,13H2,1H3,(H2,22,23,27).
What are the key properties of N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide?
N-(1-aminoethylidene)-2-[4-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.10, 4 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-(oxolan-3-ylamino)piperidin-1-yl]quinoline-3-carboxamide is sourced from PubChem (CID 139324686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).