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

C26H30N4O3 — CID 18859143

IUPAC4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCCCN2CCOCC2)cc1)CC3
InChIInChI=1S/C26H30N4O3/c1-32-23-8-5-20-17-21-9-12-30(25(21)28-24(20)18-23)22-6-3-19(4-7-22)26(31)27-10-2-11-29-13-15-33-16-14-29/h3-8,17-18H,2,9-16H2,1H3,(H,27,31)
InChIKeyFILOWEVUHLIVHL-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.39
Rot. Bonds7

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

4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 18859143) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID18859143
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCOc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCCCN2CCOCC2)cc1)CC3
InChIInChI=1S/C26H30N4O3/c1-32-23-8-5-20-17-21-9-12-30(25(21)28-24(20)18-23)22-6-3-19(4-7-22)26(31)27-10-2-11-29-13-15-33-16-14-29/h3-8,17-18H,2,9-16H2,1H3,(H,27,31)
InChIKeyFILOWEVUHLIVHL-UHFFFAOYSA-N
XLogP3.39
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide
CID 18859211
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859173
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 18859300
methyl 4-[[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]amino]benzoate
CID 18859254
N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859194
N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859231
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
N-[5-methoxy-2-(3-morpholin-4-ylpropylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 118913457
7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid
CID 10246128
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 126479402
4-[4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 67385661
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 18859143) is 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide is COc1ccc2cc3c(nc2c1)N(c1ccc(C(=O)NCCCN2CCOCC2)cc1)CC3.
What is the InChIKey of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is FILOWEVUHLIVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-32-23-8-5-20-17-21-9-12-30(25(21)28-24(20)18-23)22-6-3-19(4-7-22)26(31)27-10-2-11-29-13-15-33-16-14-29/h3-8,17-18H,2,9-16H2,1H3,(H,27,31).
What are the key properties of 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 446.55 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 18859143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).