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

C18H15N3O2 — CID 647737

IUPAC5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2
InChIInChI=1S/C18H15N3O2/c1-11-8-15-13-4-2-3-5-14(13)19-18(21(15)20-11)12-6-7-16-17(9-12)23-10-22-16/h2-9,18-19H,10H2,1H3
InChIKeyONWDLTBSWXSNBZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.56
Rot. Bonds1

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

5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 647737) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID647737
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2
InChIInChI=1S/C18H15N3O2/c1-11-8-15-13-4-2-3-5-14(13)19-18(21(15)20-11)12-6-7-16-17(9-12)23-10-22-16/h2-9,18-19H,10H2,1H3
InChIKeyONWDLTBSWXSNBZ-UHFFFAOYSA-N
XLogP3.56
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Ethoxy-6-{2-methyl-5H,6H-pyrazolo[1,5-C]quinazolin-5-YL}phenol
CID 3158660
5-Benzo[1,3]dioxol-5-yl-2,7-dimethyl-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 644653
5-Benzo[1,3]dioxol-5-yl-2,7,9-trimethyl-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 648825
5-Benzo[1,3]dioxol-5-yl-2,9-dimethyl-5,6-dihydro-pyrazolo[1,5-c]quinazoline
CID 652264
5-(3,4-Dimethoxyphenyl)-2-methyl-5H,6H-pyrazolo[1,5-C]quinazoline
CID 3158645
2-Methoxy-4-(9-methyl(5,6,7-trihydropyrazolo[1,5-c]quinazolin-6-yl))phenol
CID 3158653
2,6-Dimethoxy-4-{2,7,9-trimethyl-5H,6H-pyrazolo[1,5-C]quinazolin-5-YL}phenol
CID 3158724
N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)-5-methoxy-1H-indazol-3-amine
CID 11531010
N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)-5-methoxy-1-methyl-1H-indazol-3-amine
CID 44405415
N-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-yl)-1H-indazol-3-amine
CID 44405517
3-(1,3-Benzodioxol-5-Yl)-1-Methyl-1h-Pyrazol-5-Amine
CID 43158870
5-(2,4-Dimethoxyphenyl)-2-methyl-5H,6H-pyrazolo[1,5-C]quinazoline
CID 3158644

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 647737) is 5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1ccc3c(c1)OCO3)Nc1ccccc1-2.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is ONWDLTBSWXSNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-11-8-15-13-4-2-3-5-14(13)19-18(21(15)20-11)12-6-7-16-17(9-12)23-10-22-16/h2-9,18-19H,10H2,1H3.
What are the key properties of 5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 305.34 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 647737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).