N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide

C19H25N3O2 — CID 43072188

IUPACN-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3
InChIInChI=1S/C19H25N3O2/c1-2-3-4-5-6-9-18(23)20-14-10-11-16-15(13-14)19(24)22-12-7-8-17(22)21-16/h10-11,13H,2-9,12H2,1H3,(H,20,23)
InChIKeyIIMYHGHVQDMFFG-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.64
Rot. Bonds7

About N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide

N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide (PubChem CID 43072188) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide.

Molecular Properties

Compound NameN-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide
PubChem CID43072188
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide
SMILESCCCCCCCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3
InChIInChI=1S/C19H25N3O2/c1-2-3-4-5-6-9-18(23)20-14-10-11-16-15(13-14)19(24)22-12-7-8-17(22)21-16/h10-11,13H,2-9,12H2,1H3,(H,20,23)
InChIKeyIIMYHGHVQDMFFG-UHFFFAOYSA-N
XLogP3.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.64
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-(2-methoxyethyl)-N'-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)propanediamide
CID 20890280
(E)-3-(furan-2-yl)-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)prop-2-enamide
CID 6309876
2-ethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261327
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide
CID 123383875
4-methoxy-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
CID 46261345
N-(2-methylquinoxalin-6-yl)pentadecanamide
CID 44611336
3,4,5-trimethoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 46261313
7-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 730195
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]hexanamide
CID 24686603
2-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24748020
3-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24747964
N'-butanoyl-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 154853312

Frequently Asked Questions

What is the IUPAC name of N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide?
The IUPAC name of N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide (CID 43072188) is N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide.
What is the SMILES notation for N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide?
The canonical SMILES for N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide is CCCCCCCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3.
What is the InChIKey of N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide?
The InChIKey is IIMYHGHVQDMFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-3-4-5-6-9-18(23)20-14-10-11-16-15(13-14)19(24)22-12-7-8-17(22)21-16/h10-11,13H,2-9,12H2,1H3,(H,20,23).
What are the key properties of N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide?
N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide has a molecular weight of 327.43 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide is sourced from PubChem (CID 43072188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).