7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one

C21H18N4OS — CID 151975239

IUPAC7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one
SMILESCc1ccccc1-n1c(=O)nc(Nc2cnsc2)c2ccc(C3CC3)cc21
InChIInChI=1S/C21H18N4OS/c1-13-4-2-3-5-18(13)25-19-10-15(14-6-7-14)8-9-17(19)20(24-21(25)26)23-16-11-22-27-12-16/h2-5,8-12,14H,6-7H2,1H3,(H,23,24,26)
InChIKeyUBNILIKUIDHZOI-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.77
Rot. Bonds4

About 7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one

7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one (PubChem CID 151975239) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one.

Molecular Properties

Compound Name7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one
PubChem CID151975239
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one
SMILESCc1ccccc1-n1c(=O)nc(Nc2cnsc2)c2ccc(C3CC3)cc21
InChIInChI=1S/C21H18N4OS/c1-13-4-2-3-5-18(13)25-19-10-15(14-6-7-14)8-9-17(19)20(24-21(25)26)23-16-11-22-27-12-16/h2-5,8-12,14H,6-7H2,1H3,(H,23,24,26)
InChIKeyUBNILIKUIDHZOI-UHFFFAOYSA-N
XLogP4.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-7-cyclopropyl-4-(isothiazol-4-ylamino)quinazolin-2(1H)-one
CID 153608313
7-Cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylmethyl)quinazolin-2-one
CID 160129950
N-[1-(2-chlorophenyl)-7-cyclopropyl-2H-quinazolin-4-yl]-1,2-thiazol-4-amine
CID 166756472
N-[7-cyclopropyl-1-(2-methylphenyl)-2H-quinazolin-4-yl]-1,2-thiazol-4-amine
CID 176080670

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one?
The IUPAC name of 7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one (CID 151975239) is 7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one.
What is the SMILES notation for 7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one?
The canonical SMILES for 7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one is Cc1ccccc1-n1c(=O)nc(Nc2cnsc2)c2ccc(C3CC3)cc21.
What is the InChIKey of 7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one?
The InChIKey is UBNILIKUIDHZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-13-4-2-3-5-18(13)25-19-10-15(14-6-7-14)8-9-17(19)20(24-21(25)26)23-16-11-22-27-12-16/h2-5,8-12,14H,6-7H2,1H3,(H,23,24,26).
What are the key properties of 7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one?
7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one has a molecular weight of 374.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-1-(2-methylphenyl)-4-(1,2-thiazol-4-ylamino)quinazolin-2-one is sourced from PubChem (CID 151975239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).