N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane

C30H46N4O4 — CID 143793024

IUPACN-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane
SMILESCC(C)CN(C(=O)c1cc2c(nc1NCc1ccco1)CCCC2)C1CCCN(C=O)C1.COC(C)(C)C
InChIInChI=1S/C25H34N4O3.C5H12O/c1-18(2)15-29(20-8-5-11-28(16-20)17-30)25(31)22-13-19-7-3-4-10-23(19)27-24(22)26-14-21-9-6-12-32-21;1-5(2,3)6-4/h6,9,12-13,17-18,20H,3-5,7-8,10-11,14-16H2,1-2H3,(H,26,27);1-4H3
InChIKeyMKAIREWVYBRFRM-UHFFFAOYSA-N
MW526.72 g/mol
LogP5.32
Rot. Bonds8

About N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane

N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane (PubChem CID 143793024) has the molecular formula C30H46N4O4 and a molecular weight of 526.72 g/mol. Its IUPAC name is N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane.

Molecular Properties

Compound NameN-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane
PubChem CID143793024
Molecular FormulaC30H46N4O4
Molecular Weight526.72 g/mol
Exact Mass526.35
IUPAC NameN-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane
SMILESCC(C)CN(C(=O)c1cc2c(nc1NCc1ccco1)CCCC2)C1CCCN(C=O)C1.COC(C)(C)C
InChIInChI=1S/C25H34N4O3.C5H12O/c1-18(2)15-29(20-8-5-11-28(16-20)17-30)25(31)22-13-19-7-3-4-10-23(19)27-24(22)26-14-21-9-6-12-32-21;1-5(2,3)6-4/h6,9,12-13,17-18,20H,3-5,7-8,10-11,14-16H2,1-2H3,(H,26,27);1-4H3
InChIKeyMKAIREWVYBRFRM-UHFFFAOYSA-N
XLogP5.32
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.72
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane?
The IUPAC name of N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane (CID 143793024) is N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane.
What is the SMILES notation for N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane?
The canonical SMILES for N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane is CC(C)CN(C(=O)c1cc2c(nc1NCc1ccco1)CCCC2)C1CCCN(C=O)C1.COC(C)(C)C.
What is the InChIKey of N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane?
The InChIKey is MKAIREWVYBRFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3.C5H12O/c1-18(2)15-29(20-8-5-11-28(16-20)17-30)25(31)22-13-19-7-3-4-10-23(19)27-24(22)26-14-21-9-6-12-32-21;1-5(2,3)6-4/h6,9,12-13,17-18,20H,3-5,7-8,10-11,14-16H2,1-2H3,(H,26,27);1-4H3.
What are the key properties of N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane?
N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane has a molecular weight of 526.72 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-formylpiperidin-3-yl)-2-(furan-2-ylmethylamino)-N-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide;2-methoxy-2-methylpropane is sourced from PubChem (CID 143793024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).