6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide

C18H20F2N4O — CID 138054249

IUPAC6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide
SMILESCC1CCc2ccccc2N1CCNC(=O)c1cc(C(F)F)ncn1
InChIInChI=1S/C18H20F2N4O/c1-12-6-7-13-4-2-3-5-16(13)24(12)9-8-21-18(25)15-10-14(17(19)20)22-11-23-15/h2-5,10-12,17H,6-9H2,1H3,(H,21,25)
InChIKeyWHHKDWRXVHDACC-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.99
Rot. Bonds5

About 6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide

6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 138054249) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID138054249
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide
SMILESCC1CCc2ccccc2N1CCNC(=O)c1cc(C(F)F)ncn1
InChIInChI=1S/C18H20F2N4O/c1-12-6-7-13-4-2-3-5-16(13)24(12)9-8-21-18(25)15-10-14(17(19)20)22-11-23-15/h2-5,10-12,17H,6-9H2,1H3,(H,21,25)
InChIKeyWHHKDWRXVHDACC-UHFFFAOYSA-N
XLogP2.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 63028897
6-(difluoromethyl)-N-[3-(2-fluorophenyl)cyclobutyl]pyrimidine-4-carboxamide
CID 136586349
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]propanamide
CID 71984950
6-(difluoromethyl)-N-[3-(2-methylphenyl)cyclobutyl]pyrimidine-4-carboxamide
CID 146139892
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154420
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51930856
6-(3,4-dihydro-2H-quinolin-1-yl)-N-propylpyrimidine-4-carboxamide
CID 109338531
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 71998225

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide (CID 138054249) is 6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide is CC1CCc2ccccc2N1CCNC(=O)c1cc(C(F)F)ncn1.
What is the InChIKey of 6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is WHHKDWRXVHDACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-12-6-7-13-4-2-3-5-16(13)24(12)9-8-21-18(25)15-10-14(17(19)20)22-11-23-15/h2-5,10-12,17H,6-9H2,1H3,(H,21,25).
What are the key properties of 6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide?
6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 138054249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).