2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate

C17H19N5O3 — CID 175109424

IUPAC2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2ncccc12.NC(=O)N1C=CC=NC1
InChIInChI=1S/C12H12N2O2.C5H7N3O/c1-14(2)12(15)16-11-7-3-6-10-9(11)5-4-8-13-10;6-5(9)8-3-1-2-7-4-8/h3-8H,1-2H3;1-3H,4H2,(H2,6,9)
InChIKeyMQONDTNCIUCPLO-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.22
Rot. Bonds1

About 2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate

2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate (PubChem CID 175109424) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate
PubChem CID175109424
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cccc2ncccc12.NC(=O)N1C=CC=NC1
InChIInChI=1S/C12H12N2O2.C5H7N3O/c1-14(2)12(15)16-11-7-3-6-10-9(11)5-4-8-13-10;6-5(9)8-3-1-2-7-4-8/h3-8H,1-2H3;1-3H,4H2,(H2,6,9)
InChIKeyMQONDTNCIUCPLO-UHFFFAOYSA-N
XLogP2.22
TPSA101.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[8-[[5-(dimethylcarbamoyloxy)quinolin-8-yl]methyl]quinolin-5-yl] N,N-dimethylcarbamate
CID 140575764
N-(3-aminopropyl)-N-methyl-3-quinolin-5-yloxypropanamide
CID 103044350
(3-iodoquinolin-5-yl) N,N-dimethylcarbamate
CID 134861107
propan-2-yl N-methyl-N-(quinolin-5-ylmethyl)carbamate
CID 135388422
2-(propylamino)-4-quinolin-5-yloxybutanamide
CID 103045604
O-quinolin-5-ylhydroxylamine;hydrochloride
CID 162421843
[1-[15-[5-(dimethylcarbamoyloxy)isoquinolin-1-yl]pentadecyl]isoquinolin-5-yl] N,N-dimethylcarbamate;dihydrobromide
CID 173406385
3-(quinolin-5-yloxymethyl)furan-2-carbohydrazide
CID 103045950
quinolin-5-yloxyphosphonamidous acid
CID 175462416
2-(2-methoxyphenyl)-N-methyl-N-(quinolin-5-ylmethyl)acetamide
CID 70744785
2-quinolin-5-yloxybenzaldehyde
CID 103045116
3-amino-2-quinolin-5-yloxybutan-1-ol
CID 103044560

Frequently Asked Questions

What is the IUPAC name of 2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate?
The IUPAC name of 2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate (CID 175109424) is 2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate.
What is the SMILES notation for 2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate?
The canonical SMILES for 2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate is CN(C)C(=O)Oc1cccc2ncccc12.NC(=O)N1C=CC=NC1.
What is the InChIKey of 2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate?
The InChIKey is MQONDTNCIUCPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2.C5H7N3O/c1-14(2)12(15)16-11-7-3-6-10-9(11)5-4-8-13-10;6-5(9)8-3-1-2-7-4-8/h3-8H,1-2H3;1-3H,4H2,(H2,6,9).
What are the key properties of 2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate?
2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate has a molecular weight of 341.37 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrimidine-1-carboxamide;quinolin-5-yl N,N-dimethylcarbamate is sourced from PubChem (CID 175109424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).