N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

C23H21N5O2 — CID 135680298

IUPACN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCCc1cccc2c(/C=N/NC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)c[nH]c12
InChIInChI=1S/C23H21N5O2/c1-2-14-5-3-6-17-16(12-24-21(14)17)13-25-27-22(29)15-8-9-18-19(11-15)26-20-7-4-10-28(20)23(18)30/h3,5-6,8-9,11-13,24H,2,4,7,10H2,1H3,(H,27,29)/b25-13+
InChIKeyMJWDMJUSLAOUOL-DHRITJCHSA-N
MW399.45 g/mol
LogP3.15
Rot. Bonds4

About N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide

N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (PubChem CID 135680298) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
PubChem CID135680298
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
SMILESCCc1cccc2c(/C=N/NC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)c[nH]c12
InChIInChI=1S/C23H21N5O2/c1-2-14-5-3-6-17-16(12-24-21(14)17)13-25-27-22(29)15-8-9-18-19(11-15)26-20-7-4-10-28(20)23(18)30/h3,5-6,8-9,11-13,24H,2,4,7,10H2,1H3,(H,27,29)/b25-13+
InChIKeyMJWDMJUSLAOUOL-DHRITJCHSA-N
XLogP3.15
TPSA92.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 135680283
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 135680266
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 135679847
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N-ethyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551018
N-(3-acetylphenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9095690
N'-(3-chlorobenzoyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 24979555
N'-(3-methoxybenzoyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 8873287
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135715970
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The IUPAC name of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide (CID 135680298) is N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide.
What is the SMILES notation for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The canonical SMILES for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is CCc1cccc2c(/C=N/NC(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)c[nH]c12.
What is the InChIKey of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
The InChIKey is MJWDMJUSLAOUOL-DHRITJCHSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-2-14-5-3-6-17-16(12-24-21(14)17)13-25-27-22(29)15-8-9-18-19(11-15)26-20-7-4-10-28(20)23(18)30/h3,5-6,8-9,11-13,24H,2,4,7,10H2,1H3,(H,27,29)/b25-13+.
What are the key properties of N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide?
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide is sourced from PubChem (CID 135680298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).