N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide

C26H38N4O4 — CID 3236232

IUPACN-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
SMILESCCCN(CCC)C(=O)Cn1c(=O)n(CCCCC(=O)NC2CCCC2)c(=O)c2ccccc21
InChIInChI=1S/C26H38N4O4/c1-3-16-28(17-4-2)24(32)19-30-22-14-8-7-13-21(22)25(33)29(26(30)34)18-10-9-15-23(31)27-20-11-5-6-12-20/h7-8,13-14,20H,3-6,9-12,15-19H2,1-2H3,(H,27,31)
InChIKeyPBBTWEIFDDKLDI-UHFFFAOYSA-N
MW470.61 g/mol
LogP3.04
Rot. Bonds12

About N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide

N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide (PubChem CID 3236232) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
PubChem CID3236232
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC NameN-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide
SMILESCCCN(CCC)C(=O)Cn1c(=O)n(CCCCC(=O)NC2CCCC2)c(=O)c2ccccc21
InChIInChI=1S/C26H38N4O4/c1-3-16-28(17-4-2)24(32)19-30-22-14-8-7-13-21(22)25(33)29(26(30)34)18-10-9-15-23(31)27-20-11-5-6-12-20/h7-8,13-14,20H,3-6,9-12,15-19H2,1-2H3,(H,27,31)
InChIKeyPBBTWEIFDDKLDI-UHFFFAOYSA-N
XLogP3.04
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
Glycosmicine
CID 11788
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-Allyl-2-mercapto-3H-quinazolin-4-one
CID 657947
3-[2-(piperidin-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one
CID 935390
1,3-Dimethyl-2,4(1H,3H)-quinazolinedione
CID 101217
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
3-Methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 344385

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The IUPAC name of N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide (CID 3236232) is N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide.
What is the SMILES notation for N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The canonical SMILES for N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide is CCCN(CCC)C(=O)Cn1c(=O)n(CCCCC(=O)NC2CCCC2)c(=O)c2ccccc21.
What is the InChIKey of N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
The InChIKey is PBBTWEIFDDKLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-3-16-28(17-4-2)24(32)19-30-22-14-8-7-13-21(22)25(33)29(26(30)34)18-10-9-15-23(31)27-20-11-5-6-12-20/h7-8,13-14,20H,3-6,9-12,15-19H2,1-2H3,(H,27,31).
What are the key properties of N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide?
N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide has a molecular weight of 470.61 g/mol, XLogP of 3.04, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[1-[2-(dipropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]pentanamide is sourced from PubChem (CID 3236232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).