N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide

C22H24N4OS — CID 110237676

IUPACN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)sc1C
InChIInChI=1S/C22H24N4OS/c1-13-9-19(28-14(13)2)21(27)26-18-11-22(3,4)10-17-16(18)12-24-20(25-17)15-5-7-23-8-6-15/h5-9,12,18H,10-11H2,1-4H3,(H,26,27)
InChIKeyJTQMFCRHEAOEPJ-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.66
Rot. Bonds3

About N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide

N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 110237676) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID110237676
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)sc1C
InChIInChI=1S/C22H24N4OS/c1-13-9-19(28-14(13)2)21(27)26-18-11-22(3,4)10-17-16(18)12-24-20(25-17)15-5-7-23-8-6-15/h5-9,12,18H,10-11H2,1-4H3,(H,26,27)
InChIKeyJTQMFCRHEAOEPJ-UHFFFAOYSA-N
XLogP4.66
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide (CID 110237676) is N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NC2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)sc1C.
What is the InChIKey of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is JTQMFCRHEAOEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-13-9-19(28-14(13)2)21(27)26-18-11-22(3,4)10-17-16(18)12-24-20(25-17)15-5-7-23-8-6-15/h5-9,12,18H,10-11H2,1-4H3,(H,26,27).
What are the key properties of N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide?
N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-pyridin-4-yl-6,8-dihydro-5H-quinazolin-5-yl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 110237676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).