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

C18H17ClN4O3 — CID 135783142

IUPAC6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
SMILESO=C(c1ccco1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-12-3-4-14-13(10-12)17(24)21-16(20-14)11-22-5-7-23(8-6-22)18(25)15-2-1-9-26-15/h1-4,9-10H,5-8,11H2,(H,20,21,24)
InChIKeyQGVAZCDPTVRQJZ-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.13
Rot. Bonds3

About 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one

6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one (PubChem CID 135783142) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
PubChem CID135783142
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
SMILESO=C(c1ccco1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C18H17ClN4O3/c19-12-3-4-14-13(10-12)17(24)21-16(20-14)11-22-5-7-23(8-6-22)18(25)15-2-1-9-26-15/h1-4,9-10H,5-8,11H2,(H,20,21,24)
InChIKeyQGVAZCDPTVRQJZ-UHFFFAOYSA-N
XLogP2.13
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830
2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3H-quinazolin-4-one
CID 135777794
6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136563185
[4-[(6-chloroquinolin-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 131913262
6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
CID 135799571
4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 135939282
2-chloro-6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 4642113
6-chloro-2-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875431
[4-[(5-chloro-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 24737161
2-chloro-8-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyrido[2,1-b]quinazolin-11-one
CID 3617574
N-[(2S)-butan-2-yl]-2-[4-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]acetamide
CID 135882940
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one (CID 135783142) is 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one is O=C(c1ccco1)N1CCN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)CC1.
What is the InChIKey of 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is QGVAZCDPTVRQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c19-12-3-4-14-13(10-12)17(24)21-16(20-14)11-22-5-7-23(8-6-22)18(25)15-2-1-9-26-15/h1-4,9-10H,5-8,11H2,(H,20,21,24).
What are the key properties of 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one?
6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 372.81 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135783142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).