methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate

C19H22N4O3 — CID 112523546

IUPACmethyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)Nc2ccc3c(c2)CCCN3C)ccn1
InChIInChI=1S/C19H22N4O3/c1-23-9-3-4-13-10-15(5-6-17(13)23)22-18(24)14-7-8-20-16(11-14)12-21-19(25)26-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyPUTPLFMMPJBLGR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.57
Rot. Bonds4

About methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate

methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate (PubChem CID 112523546) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate
PubChem CID112523546
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Namemethyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1cc(C(=O)Nc2ccc3c(c2)CCCN3C)ccn1
InChIInChI=1S/C19H22N4O3/c1-23-9-3-4-13-10-15(5-6-17(13)23)22-18(24)14-7-8-20-16(11-14)12-21-19(25)26-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyPUTPLFMMPJBLGR-UHFFFAOYSA-N
XLogP2.57
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate with MolForge

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Related Compounds

2-cyano-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-4-carboxamide
CID 112523521
1-methyl-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)indole-5-carboxamide
CID 112523570
3-methoxy-N-(1-methyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 110729116
1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485892
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521455
ethyl N-[[4-[(4-bromophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520988
methyl N-[[4-(oxolan-2-ylmethylcarbamoyl)-2-pyridinyl]methyl]carbamate
CID 112520355
methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
CID 110485913
4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid
CID 19760245
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
methyl N-[[4-(3-aminopyrrolidine-1-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112530810

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate (CID 112523546) is methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate is COC(=O)NCc1cc(C(=O)Nc2ccc3c(c2)CCCN3C)ccn1.
What is the InChIKey of methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate?
The InChIKey is PUTPLFMMPJBLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-23-9-3-4-13-10-15(5-6-17(13)23)22-18(24)14-7-8-20-16(11-14)12-21-19(25)26-2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate?
methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate has a molecular weight of 354.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)carbamoyl]-2-pyridinyl]methyl]carbamate is sourced from PubChem (CID 112523546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).