2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one

C18H18N4O3 — CID 135480830

IUPAC2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
SMILESO=C(c1ccco1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H18N4O3/c23-17-13-4-1-2-5-14(13)19-16(20-17)12-21-7-9-22(10-8-21)18(24)15-6-3-11-25-15/h1-6,11H,7-10,12H2,(H,19,20,23)
InChIKeyPSPHDQZOAXBEFE-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.47
Rot. Bonds3

About 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one

2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one (PubChem CID 135480830) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
PubChem CID135480830
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
SMILESO=C(c1ccco1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H18N4O3/c23-17-13-4-1-2-5-14(13)19-16(20-17)12-21-7-9-22(10-8-21)18(24)15-6-3-11-25-15/h1-6,11H,7-10,12H2,(H,19,20,23)
InChIKeyPSPHDQZOAXBEFE-UHFFFAOYSA-N
XLogP1.47
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135783142
2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3H-quinazolin-4-one
CID 135777794
2-[[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135891492
2-[[4-(4-methoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135429215
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135612889
2-(piperidin-1-ylmethyl)-3H-quinazolin-4-one
CID 135420435
N-[(2R)-1-oxo-1-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]-3-phenylpropan-2-yl]benzamide
CID 135881108
2-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135899756
2-[[4-(4-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135963194
2-[[4-(6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135963619
2-[[4-(3-hydroxypropyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 136868764
2-[(4-propylpiperazin-1-yl)methyl]-3H-quinazolin-4-one
CID 135802761

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one (CID 135480830) is 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one is O=C(c1ccco1)N1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is PSPHDQZOAXBEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-17-13-4-1-2-5-14(13)19-16(20-17)12-21-7-9-22(10-8-21)18(24)15-6-3-11-25-15/h1-6,11H,7-10,12H2,(H,19,20,23).
What are the key properties of 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one?
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 338.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135480830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).