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

C14H17N7O2 — CID 68937942

IUPAC8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCCNC(=O)Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
InChIInChI=1S/C14H17N7O2/c1-3-16-14(23)19-13-17-6-7-4-5-8-10(12(15)22)20-21(2)11(8)9(7)18-13/h6H,3-5H2,1-2H3,(H2,15,22)(H2,16,17,18,19,23)
InChIKeyIPGBCVWDDPPBHA-UHFFFAOYSA-N
MW315.34 g/mol
LogP0.22
Rot. Bonds3

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

8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 68937942) has the molecular formula C14H17N7O2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID68937942
Molecular FormulaC14H17N7O2
Molecular Weight315.34 g/mol
Exact Mass315.14
IUPAC Name8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCCNC(=O)Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
InChIInChI=1S/C14H17N7O2/c1-3-16-14(23)19-13-17-6-7-4-5-8-10(12(15)22)20-21(2)11(8)9(7)18-13/h6H,3-5H2,1-2H3,(H2,15,22)(H2,16,17,18,19,23)
InChIKeyIPGBCVWDDPPBHA-UHFFFAOYSA-N
XLogP0.22
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 68937942) is 8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CCNC(=O)Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2.
What is the InChIKey of 8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is IPGBCVWDDPPBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O2/c1-3-16-14(23)19-13-17-6-7-4-5-8-10(12(15)22)20-21(2)11(8)9(7)18-13/h6H,3-5H2,1-2H3,(H2,15,22)(H2,16,17,18,19,23).
What are the key properties of 8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 68937942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).