N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide

C25H25N5O — CID 18858986

IUPACN-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
SMILESCc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCCCn2ccnc2)cc1)CC3
InChIInChI=1S/C25H25N5O/c1-18-3-4-20-16-21-9-13-30(24(21)28-23(20)15-18)22-7-5-19(6-8-22)25(31)27-10-2-12-29-14-11-26-17-29/h3-8,11,14-17H,2,9-10,12-13H2,1H3,(H,27,31)
InChIKeyOEGJFSPUOBXFJK-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.25
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide

N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (PubChem CID 18858986) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
PubChem CID18858986
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
SMILESCc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCCCn2ccnc2)cc1)CC3
InChIInChI=1S/C25H25N5O/c1-18-3-4-20-16-21-9-13-30(24(21)28-23(20)15-18)22-7-5-19(6-8-22)25(31)27-10-2-12-29-14-11-26-17-29/h3-8,11,14-17H,2,9-10,12-13H2,1H3,(H,27,31)
InChIKeyOEGJFSPUOBXFJK-UHFFFAOYSA-N
XLogP4.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N'-[4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]benzohydrazide
CID 18859092
4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
CID 18858987
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 18859143
4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-pyridin-2-ylbenzamide
CID 18859131
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17395173
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
3,5-ditert-butyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53352599
N-(3-imidazol-1-ylpropyl)-1-methylpyridin-1-ium-4-carboxamide
CID 39847983
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)-3-iodo-4-methylbenzamide
CID 118203012

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (CID 18858986) is N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is Cc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCCCn2ccnc2)cc1)CC3.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The InChIKey is OEGJFSPUOBXFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-18-3-4-20-16-21-9-13-30(24(21)28-23(20)15-18)22-7-5-19(6-8-22)25(31)27-10-2-12-29-14-11-26-17-29/h3-8,11,14-17H,2,9-10,12-13H2,1H3,(H,27,31).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide has a molecular weight of 411.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is sourced from PubChem (CID 18858986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).