[N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium

C24H36N5O+ — CID 149467803

IUPAC[N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
SMILESCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(C([OH2+])=NC(N)C3CC3)cc2c1
InChIInChI=1S/C24H35N5O/c1-15(2)14-26-19-8-10-29(11-9-19)23-20(24(30)28-22(25)17-5-6-17)13-18-12-16(3)4-7-21(18)27-23/h4,7,12-13,15,17,19,22,26H,5-6,8-11,14,25H2,1-3H3,(H,28,30)/p+1
InChIKeyZATNEVOQCQGFPL-UHFFFAOYSA-O
MW410.59 g/mol
LogP2.92
Rot. Bonds7

About [N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium

[N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium (PubChem CID 149467803) has the molecular formula C24H36N5O+ and a molecular weight of 410.59 g/mol. Its IUPAC name is [N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium.

Molecular Properties

Compound Name[N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
PubChem CID149467803
Molecular FormulaC24H36N5O+
Molecular Weight410.59 g/mol
Exact Mass410.29
IUPAC Name[N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium
SMILESCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(C([OH2+])=NC(N)C3CC3)cc2c1
InChIInChI=1S/C24H35N5O/c1-15(2)14-26-19-8-10-29(11-9-19)23-20(24(30)28-22(25)17-5-6-17)13-18-12-16(3)4-7-21(18)27-23/h4,7,12-13,15,17,19,22,26H,5-6,8-11,14,25H2,1-3H3,(H,28,30)/p+1
InChIKeyZATNEVOQCQGFPL-UHFFFAOYSA-O
XLogP2.92
TPSA89.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium?
The IUPAC name of [N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium (CID 149467803) is [N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium.
What is the SMILES notation for [N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium?
The canonical SMILES for [N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium is Cc1ccc2nc(N3CCC(NCC(C)C)CC3)c(C([OH2+])=NC(N)C3CC3)cc2c1.
What is the InChIKey of [N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium?
The InChIKey is ZATNEVOQCQGFPL-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H35N5O/c1-15(2)14-26-19-8-10-29(11-9-19)23-20(24(30)28-22(25)17-5-6-17)13-18-12-16(3)4-7-21(18)27-23/h4,7,12-13,15,17,19,22,26H,5-6,8-11,14,25H2,1-3H3,(H,28,30)/p+1.
What are the key properties of [N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium?
[N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium has a molecular weight of 410.59 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [N-[amino(cyclopropyl)methyl]-C-[6-methyl-2-[4-(2-methylpropylamino)piperidin-1-yl]quinolin-3-yl]carbonimidoyl]oxidanium is sourced from PubChem (CID 149467803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).