N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide

C17H20F2N4O — CID 167772955

IUPACN-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESCN(CCC(F)F)C(=O)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C17H20F2N4O/c1-22(10-8-15(18)19)17(24)14-7-4-9-23(14)16-12-5-2-3-6-13(12)20-11-21-16/h2-3,5-6,11,14-15H,4,7-10H2,1H3
InChIKeyKQNLIMCIJNBGMM-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.71
Rot. Bonds5

About N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide

N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide (PubChem CID 167772955) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
PubChem CID167772955
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC NameN-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
SMILESCN(CCC(F)F)C(=O)C1CCCN1c1ncnc2ccccc12
InChIInChI=1S/C17H20F2N4O/c1-22(10-8-15(18)19)17(24)14-7-4-9-23(14)16-12-5-2-3-6-13(12)20-11-21-16/h2-3,5-6,11,14-15H,4,7-10H2,1H3
InChIKeyKQNLIMCIJNBGMM-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 71911502
(3-methylpiperidin-1-yl)-(1-quinazolin-4-ylpyrrolidin-2-yl)methanone
CID 110437049
N-(1-phenylethyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 110436322
N-(4-acetylphenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42884115
N-(4-chloro-2-fluorophenyl)-1-quinazolin-4-ylpyrrolidine-2-carboxamide
CID 42930849
1-(3-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103962898
N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 45209149
N-(3-amino-4-methylpentyl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-methylpyrrolidine-2-carboxamide
CID 119658559
N,N-dimethyl-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 42933881
(2R)-N,N-diethyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide
CID 95140151
4-(3-chloropiperidin-1-yl)quinazoline
CID 55184238
N-[(1-quinazolin-4-ylpiperidin-3-yl)methyl]ethanamine
CID 62593559

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide (CID 167772955) is N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide is CN(CCC(F)F)C(=O)C1CCCN1c1ncnc2ccccc12.
What is the InChIKey of N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
The InChIKey is KQNLIMCIJNBGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-22(10-8-15(18)19)17(24)14-7-4-9-23(14)16-12-5-2-3-6-13(12)20-11-21-16/h2-3,5-6,11,14-15H,4,7-10H2,1H3.
What are the key properties of N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide?
N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-N-methyl-1-quinazolin-4-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 167772955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).