N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide

C22H35N3O2 — CID 59237974

IUPACN-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCN1CCCc2cc(C=O)ccc21
InChIInChI=1S/C22H35N3O2/c1-4-24(5-2)13-6-8-18(3)23-22(27)12-15-25-14-7-9-20-16-19(17-26)10-11-21(20)25/h10-11,16-18H,4-9,12-15H2,1-3H3,(H,23,27)
InChIKeyGWVVBXQQPDKGMK-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.27
Rot. Bonds11

About N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide

N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide (PubChem CID 59237974) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
PubChem CID59237974
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCN1CCCc2cc(C=O)ccc21
InChIInChI=1S/C22H35N3O2/c1-4-24(5-2)13-6-8-18(3)23-22(27)12-15-25-14-7-9-20-16-19(17-26)10-11-21(20)25/h10-11,16-18H,4-9,12-15H2,1-3H3,(H,23,27)
InChIKeyGWVVBXQQPDKGMK-UHFFFAOYSA-N
XLogP3.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide (CID 59237974) is N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide is CCN(CC)CCCC(C)NC(=O)CCN1CCCc2cc(C=O)ccc21.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
The InChIKey is GWVVBXQQPDKGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-4-24(5-2)13-6-8-18(3)23-22(27)12-15-25-14-7-9-20-16-19(17-26)10-11-21(20)25/h10-11,16-18H,4-9,12-15H2,1-3H3,(H,23,27).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide?
N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide has a molecular weight of 373.54 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-3-(6-formyl-3,4-dihydro-2H-quinolin-1-yl)propanamide is sourced from PubChem (CID 59237974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).