1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one

C22H17N5O — CID 135486211

IUPAC1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESO=c1[nH]c2ccc3[nH]cccc3c2c1/C=N/c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C22H17N5O/c28-22-18(21-17-2-1-9-24-19(17)7-8-20(21)26-22)12-25-16-5-3-15(4-6-16)13-27-11-10-23-14-27/h1-12,14,24H,13H2,(H,26,28)/b25-12+
InChIKeyLUOBSXZIDUAZEY-BRJLIKDPSA-N
MW367.41 g/mol
LogP4.00
Rot. Bonds4

About 1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one

1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one (PubChem CID 135486211) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one.

Molecular Properties

Compound Name1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
PubChem CID135486211
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
SMILESO=c1[nH]c2ccc3[nH]cccc3c2c1/C=N/c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C22H17N5O/c28-22-18(21-17-2-1-9-24-19(17)7-8-20(21)26-22)12-25-16-5-3-15(4-6-16)13-27-11-10-23-14-27/h1-12,14,24H,13H2,(H,26,28)/b25-12+
InChIKeyLUOBSXZIDUAZEY-BRJLIKDPSA-N
XLogP4.00
TPSA78.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-morpholin-4-ylphenyl)iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
CID 135409559
1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 123541179
ethane;1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 144833537
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
CID 123643271
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
N-[4-(imidazol-1-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 46966768
methane;N-methyl-1-[4-[(2-oxo-3,6-dihydropyrrolo[3,2-f]quinolin-1-yl)diazenyl]phenyl]methanesulfonamide
CID 159314724
1-ethyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 35858767
benzaldehyde;1-benzylimidazole
CID 23446402
N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide
CID 86084165
3-(imidazol-1-ylmethyl)benzoate
CID 7219979
8-(imidazol-1-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;hydrochloride
CID 67381414

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
The IUPAC name of 1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one (CID 135486211) is 1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one.
What is the SMILES notation for 1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
The canonical SMILES for 1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one is O=c1[nH]c2ccc3[nH]cccc3c2c1/C=N/c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
The InChIKey is LUOBSXZIDUAZEY-BRJLIKDPSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22-18(21-17-2-1-9-24-19(17)7-8-20(21)26-22)12-25-16-5-3-15(4-6-16)13-27-11-10-23-14-27/h1-12,14,24H,13H2,(H,26,28)/b25-12+.
What are the key properties of 1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one?
1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one has a molecular weight of 367.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one is sourced from PubChem (CID 135486211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).