3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine

C18H18N6O2 — CID 44523367

IUPAC3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine
SMILESCOc1ccc(Cn2ncc3c4c(N)nc(N)nc4ccc32)cc1OC
InChIInChI=1S/C18H18N6O2/c1-25-14-6-3-10(7-15(14)26-2)9-24-13-5-4-12-16(11(13)8-21-24)17(19)23-18(20)22-12/h3-8H,9H2,1-2H3,(H4,19,20,22,23)
InChIKeyMHHUFJORPXSANW-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.21
Rot. Bonds4

About 3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine

3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine (PubChem CID 44523367) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine
PubChem CID44523367
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine
SMILESCOc1ccc(Cn2ncc3c4c(N)nc(N)nc4ccc32)cc1OC
InChIInChI=1S/C18H18N6O2/c1-25-14-6-3-10(7-15(14)26-2)9-24-13-5-4-12-16(11(13)8-21-24)17(19)23-18(20)22-12/h3-8H,9H2,1-2H3,(H4,19,20,22,23)
InChIKeyMHHUFJORPXSANW-UHFFFAOYSA-N
XLogP2.21
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine (CID 44523367) is 3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine is COc1ccc(Cn2ncc3c4c(N)nc(N)nc4ccc32)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine?
The InChIKey is MHHUFJORPXSANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-25-14-6-3-10(7-15(14)26-2)9-24-13-5-4-12-16(11(13)8-21-24)17(19)23-18(20)22-12/h3-8H,9H2,1-2H3,(H4,19,20,22,23).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine?
3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine has a molecular weight of 350.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]pyrazolo[4,5-f]quinazoline-7,9-diamine is sourced from PubChem (CID 44523367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).