8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride

C37H51ClN12O4 — CID 161371416

IUPAC8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride
SMILESCCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CC1CCN(C)CC1)CC2.CCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CC1CCNCC1)CC2.Cl
InChIInChI=1S/C19H26N6O2.C18H24N6O2.ClH/c1-3-27-19-21-10-13-4-5-14-16(18(20)26)23-25(17(14)15(13)22-19)11-12-6-8-24(2)9-7-12;1-2-26-18-21-9-12-3-4-13-15(17(19)25)23-24(16(13)14(12)22-18)10-11-5-7-20-8-6-11;/h10,12H,3-9,11H2,1-2H3,(H2,20,26);9,11,20H,2-8,10H2,1H3,(H2,19,25);1H
InChIKeyJNTVKVMOYGFPQO-UHFFFAOYSA-N
MW763.35 g/mol
LogP2.64
Rot. Bonds10

About 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride

8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride (PubChem CID 161371416) has the molecular formula C37H51ClN12O4 and a molecular weight of 763.35 g/mol. Its IUPAC name is 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride
PubChem CID161371416
Molecular FormulaC37H51ClN12O4
Molecular Weight763.35 g/mol
Exact Mass762.38
IUPAC Name8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride
SMILESCCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CC1CCN(C)CC1)CC2.CCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CC1CCNCC1)CC2.Cl
InChIInChI=1S/C19H26N6O2.C18H24N6O2.ClH/c1-3-27-19-21-10-13-4-5-14-16(18(20)26)23-25(17(14)15(13)22-19)11-12-6-8-24(2)9-7-12;1-2-26-18-21-9-12-3-4-13-15(17(19)25)23-24(16(13)14(12)22-18)10-11-5-7-20-8-6-11;/h10,12H,3-9,11H2,1-2H3,(H2,20,26);9,11,20H,2-8,10H2,1H3,(H2,19,25);1H
InChIKeyJNTVKVMOYGFPQO-UHFFFAOYSA-N
XLogP2.64
TPSA207.11 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.35
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride with MolForge

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Related Compounds

8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 67975450
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
1-(2-chloroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 57388810
8-(cyclopentylamino)-1-(2-hydroxyethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 45139613
ethyl 1-(2-hydroxyethyl)-8-iodo-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 87535912
1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 57388887
8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 68937942
1-ethyl-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 56664839
N-(2,6-diethylphenyl)-1-methyl-8-(piperidin-4-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride
CID 44555920
8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46886959
8-(2-methoxyanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46886960
1-methyl-8-(pyridin-3-ylmethylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 45142015

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride?
The IUPAC name of 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride (CID 161371416) is 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride.
What is the SMILES notation for 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride?
The canonical SMILES for 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride is CCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CC1CCN(C)CC1)CC2.CCOc1ncc2c(n1)-c1c(c(C(N)=O)nn1CC1CCNCC1)CC2.Cl.
What is the InChIKey of 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride?
The InChIKey is JNTVKVMOYGFPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.C18H24N6O2.ClH/c1-3-27-19-21-10-13-4-5-14-16(18(20)26)23-25(17(14)15(13)22-19)11-12-6-8-24(2)9-7-12;1-2-26-18-21-9-12-3-4-13-15(17(19)25)23-24(16(13)14(12)22-18)10-11-5-7-20-8-6-11;/h10,12H,3-9,11H2,1-2H3,(H2,20,26);9,11,20H,2-8,10H2,1H3,(H2,19,25);1H.
What are the key properties of 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride?
8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride has a molecular weight of 763.35 g/mol, XLogP of 2.64, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-1-[(1-methylpiperidin-4-yl)methyl]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;8-ethoxy-1-(piperidin-4-ylmethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;hydrochloride is sourced from PubChem (CID 161371416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).