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

C20H27N3O3 — CID 73217208

IUPACN-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NC3CCCCC3)C=CC2C1=O
InChIInChI=1S/C20H27N3O3/c1-2-3-7-12-23-19(25)16-11-10-14(13-17(16)22-20(23)26)18(24)21-15-8-5-4-6-9-15/h10-11,13,15-16H,2-9,12H2,1H3,(H,21,24)
InChIKeyRGJMQAQGJZBGJS-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.14
Rot. Bonds6

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

N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide (PubChem CID 73217208) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
PubChem CID73217208
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide
SMILESCCCCCN1C(=O)N=C2C=C(C(=O)NC3CCCCC3)C=CC2C1=O
InChIInChI=1S/C20H27N3O3/c1-2-3-7-12-23-19(25)16-11-10-14(13-17(16)22-20(23)26)18(24)21-15-8-5-4-6-9-15/h10-11,13,15-16H,2-9,12H2,1H3,(H,21,24)
InChIKeyRGJMQAQGJZBGJS-UHFFFAOYSA-N
XLogP3.14
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.14
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

8-Cyclohexyl-2-(ethylamino)-4-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-7-one
CID 136619137
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
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
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The IUPAC name of N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide (CID 73217208) is N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The canonical SMILES for N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide is CCCCCN1C(=O)N=C2C=C(C(=O)NC3CCCCC3)C=CC2C1=O.
What is the InChIKey of N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
The InChIKey is RGJMQAQGJZBGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-3-7-12-23-19(25)16-11-10-14(13-17(16)22-20(23)26)18(24)21-15-8-5-4-6-9-15/h10-11,13,15-16H,2-9,12H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide?
N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4-dioxo-3-pentyl-4aH-quinazoline-7-carboxamide is sourced from PubChem (CID 73217208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).