N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide

C16H20N4O — CID 45209149

IUPACN,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(N2CCCC2C(=O)N(C)C)nc2ccccc12
InChIInChI=1S/C16H20N4O/c1-11-12-7-4-5-8-13(12)18-16(17-11)20-10-6-9-14(20)15(21)19(2)3/h4-5,7-8,14H,6,9-10H2,1-3H3
InChIKeyBJBYTKRAQHHSHE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.00
Rot. Bonds2

About N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide

N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 45209149) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
PubChem CID45209149
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
SMILESCc1nc(N2CCCC2C(=O)N(C)C)nc2ccccc12
InChIInChI=1S/C16H20N4O/c1-11-12-7-4-5-8-13(12)18-16(17-11)20-10-6-9-14(20)15(21)19(2)3/h4-5,7-8,14H,6,9-10H2,1-3H3
InChIKeyBJBYTKRAQHHSHE-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminoquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 103962898
2-azabicyclo[2.2.1]heptan-2-yl-[1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 45217025
[4-[(1R)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidin-2-yl]methanone
CID 51901047
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 45177780
dimethyl (2S)-2-[[(2R)-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carbonyl]amino]pentanedioate
CID 42274019
(2R)-1-(4-phenylquinazolin-2-yl)pyrrolidine-2-carboxamide
CID 34039994
1-(4-methylquinazolin-2-yl)-N-(spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-ylmethyl)pyrrolidine-2-carboxamide
CID 45212282
[1-(6-fluoro-4-methylquinazolin-2-yl)pyrrolidin-2-yl]-(1,2-oxazolidin-2-yl)methanone
CID 45210473
(2S)-1-(1,3-benzoxazol-2-yl)-N-benzyl-N-methylpyrrolidine-2-carboxamide
CID 99903587
methyl (2S)-1-[4-(benzylamino)quinazolin-2-yl]pyrrolidine-2-carboxylate
CID 140558382
1-[4-(benzylamino)quinazolin-2-yl]pyrrolidine-2-carboxylic acid
CID 68723847
4-methylquinazoline-2-carboxylic acid
CID 84770673

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide (CID 45209149) is N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide is Cc1nc(N2CCCC2C(=O)N(C)C)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is BJBYTKRAQHHSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-12-7-4-5-8-13(12)18-16(17-11)20-10-6-9-14(20)15(21)19(2)3/h4-5,7-8,14H,6,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide?
N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-methylquinazolin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45209149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).