8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C18H18N6O — CID 45141605

IUPAC8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(NCc3ccccc3)ncc1CC2
InChIInChI=1S/C18H18N6O/c1-24-16-13(15(23-24)17(19)25)8-7-12-10-21-18(22-14(12)16)20-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,19,25)(H,20,21,22)
InChIKeyXZZOVHIAPZXMHM-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.69
Rot. Bonds4

About 8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45141605) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45141605
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(N)=O)c2c1-c1nc(NCc3ccccc3)ncc1CC2
InChIInChI=1S/C18H18N6O/c1-24-16-13(15(23-24)17(19)25)8-7-12-10-21-18(22-14(12)16)20-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,19,25)(H,20,21,22)
InChIKeyXZZOVHIAPZXMHM-UHFFFAOYSA-N
XLogP1.69
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45141605) is 8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cn1nc(C(N)=O)c2c1-c1nc(NCc3ccccc3)ncc1CC2.
What is the InChIKey of 8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is XZZOVHIAPZXMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-24-16-13(15(23-24)17(19)25)8-7-12-10-21-18(22-14(12)16)20-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H2,19,25)(H,20,21,22).
What are the key properties of 8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45141605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).