N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide

C26H33N3O3 — CID 46930073

IUPACN-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1ccc2c(c1)N(CCCN1CCC(NC(=O)Cc3ccccc3)CC1)C(=O)CC2
InChIInChI=1S/C26H33N3O3/c1-32-23-10-8-21-9-11-26(31)29(24(21)19-23)15-5-14-28-16-12-22(13-17-28)27-25(30)18-20-6-3-2-4-7-20/h2-4,6-8,10,19,22H,5,9,11-18H2,1H3,(H,27,30)
InChIKeyPGHAQHBGJYSMTQ-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.19
Rot. Bonds8

About N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide

N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 46930073) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID46930073
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide
SMILESCOc1ccc2c(c1)N(CCCN1CCC(NC(=O)Cc3ccccc3)CC1)C(=O)CC2
InChIInChI=1S/C26H33N3O3/c1-32-23-10-8-21-9-11-26(31)29(24(21)19-23)15-5-14-28-16-12-22(13-17-28)27-25(30)18-20-6-3-2-4-7-20/h2-4,6-8,10,19,22H,5,9,11-18H2,1H3,(H,27,30)
InChIKeyPGHAQHBGJYSMTQ-UHFFFAOYSA-N
XLogP3.19
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide with MolForge

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Related Compounds

N-(3-(4-((4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)acetamide
CID 114904
Opc-14523
CID 9892540
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
(3r)-N-[3-(7-Methoxy-3,4-Dihydroquinolin-1(2h)-Yl)propyl]-3-Methyl-2-Oxo-1,2,3,4-Tetrahydroquinoxaline-5-Carboxamide
CID 102358573
Ucm1014
CID 121231413
Ketopiperazine-based inhibitor, 11
CID 11204336
Tetra-hydro-isoquinoline derivative 3
CID 137653313
7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10502413
7-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one
CID 10692886
(4R)-N-[3-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)propyl]-4-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
CID 146035913
(4R)-6-[(E)-5-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 146035914
Tetra-hydro-isoquinoline derivative 2
CID 46829772

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide (CID 46930073) is N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide is COc1ccc2c(c1)N(CCCN1CCC(NC(=O)Cc3ccccc3)CC1)C(=O)CC2.
What is the InChIKey of N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is PGHAQHBGJYSMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-32-23-10-8-21-9-11-26(31)29(24(21)19-23)15-5-14-28-16-12-22(13-17-28)27-25(30)18-20-6-3-2-4-7-20/h2-4,6-8,10,19,22H,5,9,11-18H2,1H3,(H,27,30).
What are the key properties of N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide?
N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 435.57 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(7-methoxy-2-oxo-3,4-dihydroquinolin-1-yl)propyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 46930073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).