N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide

C20H23N5O2S — CID 137303366

IUPACN-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccsc1CNC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C20H23N5O2S/c1-14-6-11-28-17(14)12-21-20(27)25-9-7-24(8-10-25)13-18-22-16-5-3-2-4-15(16)19(26)23-18/h2-6,11H,7-10,12-13H2,1H3,(H,21,27)(H,22,23,26)
InChIKeyKYPZHTJGEAHKPA-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.32
Rot. Bonds4

About N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide

N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 137303366) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
PubChem CID137303366
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
SMILESCc1ccsc1CNC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C20H23N5O2S/c1-14-6-11-28-17(14)12-21-20(27)25-9-7-24(8-10-25)13-18-22-16-5-3-2-4-15(16)19(26)23-18/h2-6,11H,7-10,12-13H2,1H3,(H,21,27)(H,22,23,26)
InChIKeyKYPZHTJGEAHKPA-UHFFFAOYSA-N
XLogP2.32
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-(2-bromophenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 170555974
N-(2-chloro-5-methylphenyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 170555933
N-(2-methylcyclohexyl)-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 137278385
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-[[4-(6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135963619
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429215
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761
N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
CID 115171574
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
2-[[4-(3,5-ditert-butyl-4-hydroxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135892404
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830
2-[[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135891492

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide (CID 137303366) is N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide is Cc1ccsc1CNC(=O)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is KYPZHTJGEAHKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-14-6-11-28-17(14)12-21-20(27)25-9-7-24(8-10-25)13-18-22-16-5-3-2-4-15(16)19(26)23-18/h2-6,11H,7-10,12-13H2,1H3,(H,21,27)(H,22,23,26).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide?
N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 137303366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).