1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea

C19H20N4OS — CID 135570435

IUPAC1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=S)NCCc1ccccc1
InChIInChI=1S/C19H20N4OS/c1-23(19(25)20-12-11-14-7-3-2-4-8-14)13-17-21-16-10-6-5-9-15(16)18(24)22-17/h2-10H,11-13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyOGGJBMTXVVAHBC-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.47
Rot. Bonds5

About 1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea

1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea (PubChem CID 135570435) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea.

Molecular Properties

Compound Name1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea
PubChem CID135570435
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=S)NCCc1ccccc1
InChIInChI=1S/C19H20N4OS/c1-23(19(25)20-12-11-14-7-3-2-4-8-14)13-17-21-16-10-6-5-9-15(16)18(24)22-17/h2-10H,11-13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyOGGJBMTXVVAHBC-UHFFFAOYSA-N
XLogP2.47
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 135417617
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylsulfanylethyl)urea
CID 135549209
N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-(2-phenylethyl)propanamide
CID 135527538
1-butyl-3-(4-butylphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]thiourea
CID 135789229
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea?
The IUPAC name of 1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea (CID 135570435) is 1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea.
What is the SMILES notation for 1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea?
The canonical SMILES for 1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=S)NCCc1ccccc1.
What is the InChIKey of 1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea?
The InChIKey is OGGJBMTXVVAHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-23(19(25)20-12-11-14-7-3-2-4-8-14)13-17-21-16-10-6-5-9-15(16)18(24)22-17/h2-10H,11-13H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of 1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea?
1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea has a molecular weight of 352.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(2-phenylethyl)thiourea is sourced from PubChem (CID 135570435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).