N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide

C15H18N4O2 — CID 81428182

IUPACN-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)NCc1cccc2cccnc12
InChIInChI=1S/C15H18N4O2/c1-10(14(20)19-15(21)16-2)18-9-12-6-3-5-11-7-4-8-17-13(11)12/h3-8,10,18H,9H2,1-2H3,(H2,16,19,20,21)
InChIKeyAVXDVCAGTMFCJX-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.17
Rot. Bonds4

About N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide

N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide (PubChem CID 81428182) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
PubChem CID81428182
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide
SMILESCNC(=O)NC(=O)C(C)NCc1cccc2cccnc12
InChIInChI=1S/C15H18N4O2/c1-10(14(20)19-15(21)16-2)18-9-12-6-3-5-11-7-4-8-17-13(11)12/h3-8,10,18H,9H2,1-2H3,(H2,16,19,20,21)
InChIKeyAVXDVCAGTMFCJX-UHFFFAOYSA-N
XLogP1.17
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-[(5-chloroquinolin-8-yl)methylamino]-N-methylpropanamide
CID 112617733
N-(ethylcarbamoyl)-2-[(3-ethyl-2-pyridinyl)methylamino]propanamide
CID 82738463
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
1-iodo-3-methyl-N-(quinolin-8-ylmethyl)butan-2-amine
CID 107859459

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide (CID 81428182) is N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide is CNC(=O)NC(=O)C(C)NCc1cccc2cccnc12.
What is the InChIKey of N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide?
The InChIKey is AVXDVCAGTMFCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(14(20)19-15(21)16-2)18-9-12-6-3-5-11-7-4-8-17-13(11)12/h3-8,10,18H,9H2,1-2H3,(H2,16,19,20,21).
What are the key properties of N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide?
N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide has a molecular weight of 286.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(quinolin-8-ylmethylamino)propanamide is sourced from PubChem (CID 81428182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).