N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide

C19H25N3O3 — CID 73216984

IUPACN-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NC3CCCC3)C=CC2C1=O
InChIInChI=1S/C19H25N3O3/c1-2-3-6-11-22-18(24)15-10-9-13(12-16(15)21-19(22)25)17(23)20-14-7-4-5-8-14/h9-10,12,14-15H,2-8,11H2,1H3,(H,20,23)
InChIKeyRGONFYBIBMBOAT-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.75
Rot. Bonds6

About N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide

N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide (PubChem CID 73216984) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
PubChem CID73216984
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NC3CCCC3)C=CC2C1=O
InChIInChI=1S/C19H25N3O3/c1-2-3-6-11-22-18(24)15-10-9-13(12-16(15)21-19(22)25)17(23)20-14-7-4-5-8-14/h9-10,12,14-15H,2-8,11H2,1H3,(H,20,23)
InChIKeyRGONFYBIBMBOAT-UHFFFAOYSA-N
XLogP2.75
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
N-butan-2-yl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73215559
N-butan-2-yl-3-(2-methoxyethyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
CID 73216550
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-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73217208
2,4-dioxo-3-pentyl-N-(2-pyrrolidin-1-ylethyl)-4aH-quinazoline-7-carboxamide
CID 73217210
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73217511
3-(2-methoxyethyl)-N-(3-methylbutyl)-2,4-dioxo-4aH-quinazoline-7-carboxamide
CID 73217512
2,4-dioxo-3-pentyl-N-propan-2-yl-4aH-quinazoline-7-carboxamide
CID 73218151
N-[2-(cyclohexen-1-yl)ethyl]-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
CID 73218333
3-(2-methoxyethyl)-2,4-dioxo-N-prop-2-enyl-4aH-quinazoline-7-carboxamide
CID 73218421

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The IUPAC name of N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide (CID 73216984) is N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide.
What is the SMILES notation for N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The canonical SMILES for N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide is CCCCCN1C(=O)N=C2C=C(C(=O)NC3CCCC3)C=CC2C1=O.
What is the InChIKey of N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The InChIKey is RGONFYBIBMBOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-3-6-11-22-18(24)15-10-9-13(12-16(15)21-19(22)25)17(23)20-14-7-4-5-8-14/h9-10,12,14-15H,2-8,11H2,1H3,(H,20,23).
What are the key properties of N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide is sourced from PubChem (CID 73216984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).