3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one

C18H20N6OS — CID 126897751

IUPAC3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one
SMILESO=c1c2ccc(N3CCN(c4cnsn4)CC3)cc2ncn1CC1CC1
InChIInChI=1S/C18H20N6OS/c25-18-15-4-3-14(9-16(15)19-12-24(18)11-13-1-2-13)22-5-7-23(8-6-22)17-10-20-26-21-17/h3-4,9-10,12-13H,1-2,5-8,11H2
InChIKeyDJXRMQWVMZZLDC-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.98
Rot. Bonds4

About 3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one

3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126897751) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one
PubChem CID126897751
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one
SMILESO=c1c2ccc(N3CCN(c4cnsn4)CC3)cc2ncn1CC1CC1
InChIInChI=1S/C18H20N6OS/c25-18-15-4-3-14(9-16(15)19-12-24(18)11-13-1-2-13)22-5-7-23(8-6-22)17-10-20-26-21-17/h3-4,9-10,12-13H,1-2,5-8,11H2
InChIKeyDJXRMQWVMZZLDC-UHFFFAOYSA-N
XLogP1.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(cyclopropylmethyl)-7-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126897750
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897722
3-(cyclopropylmethyl)-7-[4-(2-hydroxycyclopentyl)piperazin-1-yl]quinazolin-4-one
CID 126897903
3-(cyclopropylmethyl)-7-[4-(2-oxo-1H-pyrazin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897882
3-(cyclopropylmethyl)-7-[4-(oxolan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897874
3-(cyclopropylmethyl)-7-[4-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126897793
3-(cyclopropylmethyl)-7-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]quinazolin-4-one
CID 126897768
3-(cyclopropylmethyl)-7-[4-[(1-methyl-6-oxopyridazin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897780
3-(cyclopropylmethyl)-7-[4-(pyridazin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897803
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897842
3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126897686
3-(cyclopropylmethyl)-7-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126897666

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one (CID 126897751) is 3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one is O=c1c2ccc(N3CCN(c4cnsn4)CC3)cc2ncn1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is DJXRMQWVMZZLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-18-15-4-3-14(9-16(15)19-12-24(18)11-13-1-2-13)22-5-7-23(8-6-22)17-10-20-26-21-17/h3-4,9-10,12-13H,1-2,5-8,11H2.
What are the key properties of 3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one?
3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 368.47 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126897751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).