1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C34H46N12O4 — CID 158987349

IUPAC1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1C1CCNCC1)CC2.CCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CCCN(C)C)CC2
InChIInChI=1S/C17H22N6O2.C17H24N6O2/c1-2-25-17-20-9-10-3-4-12-14(16(18)24)22-23(15(12)13(10)21-17)11-5-7-19-8-6-11;1-4-25-17-19-10-11-6-7-12-14(16(18)24)21-23(9-5-8-22(2)3)15(12)13(11)20-17/h9,11,19H,2-8H2,1H3,(H2,18,24);10H,4-9H2,1-3H3,(H2,18,24)
InChIKeyJPSQOVRHKDGALM-UHFFFAOYSA-N
MW686.82 g/mol
LogP1.75
Rot. Bonds11

About 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 158987349) has the molecular formula C34H46N12O4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID158987349
Molecular FormulaC34H46N12O4
Molecular Weight686.82 g/mol
Exact Mass686.38
IUPAC Name1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1C1CCNCC1)CC2.CCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CCCN(C)C)CC2
InChIInChI=1S/C17H22N6O2.C17H24N6O2/c1-2-25-17-20-9-10-3-4-12-14(16(18)24)22-23(15(12)13(10)21-17)11-5-7-19-8-6-11;1-4-25-17-19-10-11-6-7-12-14(16(18)24)21-23(9-5-8-22(2)3)15(12)13(11)20-17/h9,11,19H,2-8H2,1H3,(H2,18,24);10H,4-9H2,1-3H3,(H2,18,24)
InChIKeyJPSQOVRHKDGALM-UHFFFAOYSA-N
XLogP1.75
TPSA207.11 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 158987349) is 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1C1CCNCC1)CC2.CCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CCCN(C)C)CC2.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is JPSQOVRHKDGALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2.C17H24N6O2/c1-2-25-17-20-9-10-3-4-12-14(16(18)24)22-23(15(12)13(10)21-17)11-5-7-19-8-6-11;1-4-25-17-19-10-11-6-7-12-14(16(18)24)21-23(9-5-8-22(2)3)15(12)13(11)20-17/h9,11,19H,2-8H2,1H3,(H2,18,24);10H,4-9H2,1-3H3,(H2,18,24).
What are the key properties of 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 686.82 g/mol, XLogP of 1.75, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-8-ethoxy-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-piperidin-4-yl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 158987349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).