N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide

C21H24N4O2S — CID 137265056

IUPACN-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C21H24N4O2S/c1-2-11-25(20(27)18-8-5-14-28-18)15-9-12-24(13-10-15)21-22-17-7-4-3-6-16(17)19(26)23-21/h3-8,14-15H,2,9-13H2,1H3,(H,22,23,26)
InChIKeyYXUVARKVQHZQHI-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.51
Rot. Bonds5

About N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide

N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide (PubChem CID 137265056) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
PubChem CID137265056
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C21H24N4O2S/c1-2-11-25(20(27)18-8-5-14-28-18)15-9-12-24(13-10-15)21-22-17-7-4-3-6-16(17)19(26)23-21/h3-8,14-15H,2,9-13H2,1H3,(H,22,23,26)
InChIKeyYXUVARKVQHZQHI-UHFFFAOYSA-N
XLogP3.51
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-propylthiophene-2-carboxamide
CID 4231172
N-[1-(2-amino-2-methylpropyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 120854150
N-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135549132
N-[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 133421368
2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3H-quinazolin-4-one
CID 136706838
N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 126801368
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
CID 136668709
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
N-[1-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]piperidin-4-yl]-N-propylthiophene-2-carboxamide
CID 124626949
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide
CID 42713266
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide (CID 137265056) is N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide is CCCN(C(=O)c1cccs1)C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
The InChIKey is YXUVARKVQHZQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-2-11-25(20(27)18-8-5-14-28-18)15-9-12-24(13-10-15)21-22-17-7-4-3-6-16(17)19(26)23-21/h3-8,14-15H,2,9-13H2,1H3,(H,22,23,26).
What are the key properties of N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide?
N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-oxo-3H-quinazolin-2-yl)piperidin-4-yl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 137265056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).