N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

C14H16N4O3S — CID 4815184

IUPACN-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCCn1c(SC(C)C(=O)NC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C14H16N4O3S/c1-3-18-12(20)9-6-4-5-7-10(9)16-14(18)22-8(2)11(19)17-13(15)21/h4-8H,3H2,1-2H3,(H3,15,17,19,21)
InChIKeyNZRPXVWOWMDXOB-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.09
Rot. Bonds4

About N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide

N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (PubChem CID 4815184) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
PubChem CID4815184
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC NameN-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
SMILESCCn1c(SC(C)C(=O)NC(N)=O)nc2ccccc2c1=O
InChIInChI=1S/C14H16N4O3S/c1-3-18-12(20)9-6-4-5-7-10(9)16-14(18)22-8(2)11(19)17-13(15)21/h4-8H,3H2,1-2H3,(H3,15,17,19,21)
InChIKeyNZRPXVWOWMDXOB-UHFFFAOYSA-N
XLogP1.09
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6H-Pyrimido(2,1-b)quinazolin-6-one, 1,2,3,4-tetrahydro-
CID 209367
2-(propylamino)-4(3H)-quinazolinone
CID 135439661
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
4(1H)-Quinazolinone, 2-(4-methyl-1-piperazinyl)-
CID 135399236
(4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid
CID 135409719
Bis-quinazolinone 5
CID 145996538
Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
2,6-Diamino-8-(2-Dimethylaminoethylsulfanylmethyl)-3h-Quinazolin-4-One
CID 135445363
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
2-(3-Isopropoxy-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N,N-dimethyl-acetamide
CID 947562
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide (CID 4815184) is N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is CCn1c(SC(C)C(=O)NC(N)=O)nc2ccccc2c1=O.
What is the InChIKey of N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
The InChIKey is NZRPXVWOWMDXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-3-18-12(20)9-6-4-5-7-10(9)16-14(18)22-8(2)11(19)17-13(15)21/h4-8H,3H2,1-2H3,(H3,15,17,19,21).
What are the key properties of N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide?
N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide has a molecular weight of 320.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 4815184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).