N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine

C18H15N5O2 — CID 20953887

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine
SMILESCn1cc2cc3c(NCc4ccc5c(c4)OCO5)ncnc3cc2n1
InChIInChI=1S/C18H15N5O2/c1-23-8-12-5-13-15(6-14(12)22-23)20-9-21-18(13)19-7-11-2-3-16-17(4-11)25-10-24-16/h2-6,8-9H,7,10H2,1H3,(H,19,20,21)
InChIKeyWFTLPHXHVJYFCB-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.86
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine

N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine (PubChem CID 20953887) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine
PubChem CID20953887
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine
SMILESCn1cc2cc3c(NCc4ccc5c(c4)OCO5)ncnc3cc2n1
InChIInChI=1S/C18H15N5O2/c1-23-8-12-5-13-15(6-14(12)22-23)20-9-21-18(13)19-7-11-2-3-16-17(4-11)25-10-24-16/h2-6,8-9H,7,10H2,1H3,(H,19,20,21)
InChIKeyWFTLPHXHVJYFCB-UHFFFAOYSA-N
XLogP2.86
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 10448853
N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110874951
4-N-(1,3-benzodioxol-5-ylmethyl)quinazoline-4,6-diamine
CID 89036055
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22542600
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-4-nitropyrazol-3-amine
CID 103079898
N-(1,3-benzodioxol-5-ylmethyl)-6,8-dimethoxyquinazolin-4-amine
CID 10065791
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 22542548
N-[3-(1,3-benzodioxol-5-yl)propyl]-6,7-difluoroquinazolin-4-amine
CID 70103205
N-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 53192864
4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 22542640
N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine;6-fluoro-N-[2-(4-methylphenyl)ethyl]quinazolin-4-amine;methane
CID 160516491
N-(1,3-benzodioxol-5-ylmethyl)-3,5,6-trichloropyridin-2-amine
CID 102751013

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine (CID 20953887) is N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine is Cn1cc2cc3c(NCc4ccc5c(c4)OCO5)ncnc3cc2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine?
The InChIKey is WFTLPHXHVJYFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-23-8-12-5-13-15(6-14(12)22-23)20-9-21-18(13)19-7-11-2-3-16-17(4-11)25-10-24-16/h2-6,8-9H,7,10H2,1H3,(H,19,20,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine?
N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine has a molecular weight of 333.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-methylpyrazolo[4,3-g]quinazolin-5-amine is sourced from PubChem (CID 20953887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).