2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline

C21H16N4O3 — CID 4032556

IUPAC2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1ccc(-c3cccc([N+](=O)[O-])c3)o1)Nc1ccccc1-2
InChIInChI=1S/C21H16N4O3/c1-13-11-18-16-7-2-3-8-17(16)22-21(24(18)23-13)20-10-9-19(28-20)14-5-4-6-15(12-14)25(26)27/h2-12,21-22H,1H3
InChIKeyFXZFGAQNRNDWIP-UHFFFAOYSA-N
MW372.38 g/mol
LogP5.00
Rot. Bonds3

About 2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline

2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 4032556) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID4032556
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1ccc(-c3cccc([N+](=O)[O-])c3)o1)Nc1ccccc1-2
InChIInChI=1S/C21H16N4O3/c1-13-11-18-16-7-2-3-8-17(16)22-21(24(18)23-13)20-10-9-19(28-20)14-5-4-6-15(12-14)25(26)27/h2-12,21-22H,1H3
InChIKeyFXZFGAQNRNDWIP-UHFFFAOYSA-N
XLogP5.00
TPSA86.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-hydroxy-2-[5-(3-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997738
(5R)-2-methyl-5-(6-nitro-1,3-benzodioxol-5-yl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 135619010
(2R)-3-hydroxy-2-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-1,2-dihydroquinazolin-4-one
CID 997735
4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095515
6-[5-(3-nitrophenyl)furan-2-yl]-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
CID 2859518
2-[5-(3-chlorophenyl)furan-2-yl]-3-oxido-1,2-dihydroquinazolin-4-one
CID 4744926
5-[5-(3-nitrophenyl)furan-2-yl]-3-phenyl-4,5-dihydro-1H-pyrazole
CID 10520620
diethyl 2,6-dimethyl-4-[5-(3-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
CID 1345915
N,N-dimethyl-4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]aniline
CID 1095488
2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3420775
1-[(2S)-5-(3-nitrophenyl)-2-[5-(3-nitrophenyl)furan-2-yl]-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 95063785
2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 4032556) is 2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1ccc(-c3cccc([N+](=O)[O-])c3)o1)Nc1ccccc1-2.
What is the InChIKey of 2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is FXZFGAQNRNDWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-13-11-18-16-7-2-3-8-17(16)22-21(24(18)23-13)20-10-9-19(28-20)14-5-4-6-15(12-14)25(26)27/h2-12,21-22H,1H3.
What are the key properties of 2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline?
2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 372.38 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(3-nitrophenyl)furan-2-yl]-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 4032556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).