N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine

C25H33N5 — CID 118264014

IUPACN-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine
SMILES[H]/N=C(C)\C=C/C(=N\[H])c1cc2cc(C)ccc2nc1N1CCC(NC2CCCC2)CC1
InChIInChI=1S/C25H33N5/c1-17-7-10-24-19(15-17)16-22(23(27)9-8-18(2)26)25(29-24)30-13-11-21(12-14-30)28-20-5-3-4-6-20/h7-10,15-16,20-21,26-28H,3-6,11-14H2,1-2H3/b9-8-,26-18-,27-23+
InChIKeyJKEGWBWIWDMMRY-DPBZSTSPSA-N
MW403.57 g/mol
LogP5.01
Rot. Bonds6

About N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine

N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine (PubChem CID 118264014) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine
PubChem CID118264014
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC NameN-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine
SMILES[H]/N=C(C)\C=C/C(=N\[H])c1cc2cc(C)ccc2nc1N1CCC(NC2CCCC2)CC1
InChIInChI=1S/C25H33N5/c1-17-7-10-24-19(15-17)16-22(23(27)9-8-18(2)26)25(29-24)30-13-11-21(12-14-30)28-20-5-3-4-6-20/h7-10,15-16,20-21,26-28H,3-6,11-14H2,1-2H3/b9-8-,26-18-,27-23+
InChIKeyJKEGWBWIWDMMRY-DPBZSTSPSA-N
XLogP5.01
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine?
The IUPAC name of N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine (CID 118264014) is N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine.
What is the SMILES notation for N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine?
The canonical SMILES for N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine is [H]/N=C(C)\C=C/C(=N\[H])c1cc2cc(C)ccc2nc1N1CCC(NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine?
The InChIKey is JKEGWBWIWDMMRY-DPBZSTSPSA-N. The full InChI is InChI=1S/C25H33N5/c1-17-7-10-24-19(15-17)16-22(23(27)9-8-18(2)26)25(29-24)30-13-11-21(12-14-30)28-20-5-3-4-6-20/h7-10,15-16,20-21,26-28H,3-6,11-14H2,1-2H3/b9-8-,26-18-,27-23+.
What are the key properties of N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine?
N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine has a molecular weight of 403.57 g/mol, XLogP of 5.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[3-[(Z)-4-iminopent-2-enimidoyl]-6-methylquinolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 118264014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).