2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide

C20H28N4O3 — CID 73217210

IUPAC2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NCCN3CCCC3)C=CC2C1=O
InChIInChI=1S/C20H28N4O3/c1-2-3-4-12-24-19(26)16-8-7-15(14-17(16)22-20(24)27)18(25)21-9-13-23-10-5-6-11-23/h7-8,14,16H,2-6,9-13H2,1H3,(H,21,25)
InChIKeyXMTMERNQOSHGNH-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.90
Rot. Bonds8

About 2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide

2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide (PubChem CID 73217210) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide
PubChem CID73217210
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NCCN3CCCC3)C=CC2C1=O
InChIInChI=1S/C20H28N4O3/c1-2-3-4-12-24-19(26)16-8-7-15(14-17(16)22-20(24)27)18(25)21-9-13-23-10-5-6-11-23/h7-8,14,16H,2-6,9-13H2,1H3,(H,21,25)
InChIKeyXMTMERNQOSHGNH-UHFFFAOYSA-N
XLogP1.90
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-5-carboxamide
CID 145866836
6-fluoro-3-[1-(2-oxoimidazolidine-1-carbonyl)piperidin-4-yl]-6H-quinazoline-2,4-dione
CID 168001487
N-(5-oxo-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-9-yl)pentanamide
CID 135999307
9-Isovaleroylamino-5-oxo-2,3,5,6-tetrahydroimidazo-[1,2-c]-quinazoline
CID 136209498
N-butan-2-yl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73215559
7-(4-methylpiperazine-1-carbonyl)-3-pentyl-4aH-quinazoline-2,4-dione
CID 73216735
N-[2-(2-methylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73216861
N-(2-methoxyethyl)-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73216907
N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73216984
N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73217208
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73217511
2,4-dioxo-3-pentyl-N-propan-2-yl-4aH-quinazoline-7-carboxamide
CID 73218151

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide?
The IUPAC name of 2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide (CID 73217210) is 2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide?
The canonical SMILES for 2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide is CCCCCN1C(=O)N=C2C=C(C(=O)NCCN3CCCC3)C=CC2C1=O.
What is the InChIKey of 2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide?
The InChIKey is XMTMERNQOSHGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-2-3-4-12-24-19(26)16-8-7-15(14-17(16)22-20(24)27)18(25)21-9-13-23-10-5-6-11-23/h7-8,14,16H,2-6,9-13H2,1H3,(H,21,25).
What are the key properties of 2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide?
2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide is sourced from PubChem (CID 73217210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).