N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide

C16H21N5O — CID 133387176

IUPACN-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ncnc3c(C)cccc23)CC1
InChIInChI=1S/C16H21N5O/c1-3-17-16(22)21-9-7-20(8-10-21)15-13-6-4-5-12(2)14(13)18-11-19-15/h4-6,11H,3,7-10H2,1-2H3,(H,17,22)
InChIKeyGMYGPZTUOWEDJY-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.79
Rot. Bonds2

About N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide

N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide (PubChem CID 133387176) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide
PubChem CID133387176
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(c2ncnc3c(C)cccc23)CC1
InChIInChI=1S/C16H21N5O/c1-3-17-16(22)21-9-7-20(8-10-21)15-13-6-4-5-12(2)14(13)18-11-19-15/h4-6,11H,3,7-10H2,1-2H3,(H,17,22)
InChIKeyGMYGPZTUOWEDJY-UHFFFAOYSA-N
XLogP1.79
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-hydroxy-2-[1-(8-methylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 129489930
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide
CID 131922852
N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 122571012
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
N-[(4-fluorophenyl)methyl]-4-(6-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 90114428
N-butyl-4-(1,3-dimethylpyrazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 35757406
[(2R)-1-(8-methylquinazolin-4-yl)piperidin-2-yl]methylurea
CID 97101931
N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 160909800
4-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 155941395
8-methylquinazoline-4-carboxylic acid
CID 124706584

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide (CID 133387176) is N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide is CCNC(=O)N1CCN(c2ncnc3c(C)cccc23)CC1.
What is the InChIKey of N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide?
The InChIKey is GMYGPZTUOWEDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-17-16(22)21-9-7-20(8-10-21)15-13-6-4-5-12(2)14(13)18-11-19-15/h4-6,11H,3,7-10H2,1-2H3,(H,17,22).
What are the key properties of N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide?
N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(8-methylquinazolin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 133387176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).