N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide

C19H25N5O3 — CID 155903407

IUPACN-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide
SMILESCC(=O)NC1NNC2CC3NC(=O)N([C@H](C)c4ccccc4)C(=O)C3CC21
InChIInChI=1S/C19H25N5O3/c1-10(12-6-4-3-5-7-12)24-18(26)14-8-13-16(9-15(14)21-19(24)27)22-23-17(13)20-11(2)25/h3-7,10,13-17,22-23H,8-9H2,1-2H3,(H,20,25)(H,21,27)/t10-,13?,14?,15?,16?,17?/m1/s1
InChIKeyNZWQZHCZDGXCOD-KYFQGCTLSA-N
MW371.44 g/mol
LogP0.63
Rot. Bonds3

About N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide

N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide (PubChem CID 155903407) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide
PubChem CID155903407
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide
SMILESCC(=O)NC1NNC2CC3NC(=O)N([C@H](C)c4ccccc4)C(=O)C3CC21
InChIInChI=1S/C19H25N5O3/c1-10(12-6-4-3-5-7-12)24-18(26)14-8-13-16(9-15(14)21-19(24)27)22-23-17(13)20-11(2)25/h3-7,10,13-17,22-23H,8-9H2,1-2H3,(H,20,25)(H,21,27)/t10-,13?,14?,15?,16?,17?/m1/s1
InChIKeyNZWQZHCZDGXCOD-KYFQGCTLSA-N
XLogP0.63
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide?
The IUPAC name of N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide (CID 155903407) is N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide.
What is the SMILES notation for N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide?
The canonical SMILES for N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide is CC(=O)NC1NNC2CC3NC(=O)N([C@H](C)c4ccccc4)C(=O)C3CC21.
What is the InChIKey of N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide?
The InChIKey is NZWQZHCZDGXCOD-KYFQGCTLSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-10(12-6-4-3-5-7-12)24-18(26)14-8-13-16(9-15(14)21-19(24)27)22-23-17(13)20-11(2)25/h3-7,10,13-17,22-23H,8-9H2,1-2H3,(H,20,25)(H,21,27)/t10-,13?,14?,15?,16?,17?/m1/s1.
What are the key properties of N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide?
N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,7-dioxo-6-[(1R)-1-phenylethyl]-1,2,3,3a,4,4a,8,8a,9,9a-decahydropyrazolo[4,3-g]quinazolin-3-yl]acetamide is sourced from PubChem (CID 155903407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).