N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide

C19H25N3O — CID 3102829

IUPACN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide
SMILESCCCCCCC(=O)Nc1c2c(nc3ccccc13)N(C)CC2
InChIInChI=1S/C19H25N3O/c1-3-4-5-6-11-17(23)21-18-14-9-7-8-10-16(14)20-19-15(18)12-13-22(19)2/h7-10H,3-6,11-13H2,1-2H3,(H,20,21,23)
InChIKeyORLARZUHOHSRIB-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.14
Rot. Bonds6

About N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide

N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide (PubChem CID 3102829) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide
PubChem CID3102829
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide
SMILESCCCCCCC(=O)Nc1c2c(nc3ccccc13)N(C)CC2
InChIInChI=1S/C19H25N3O/c1-3-4-5-6-11-17(23)21-18-14-9-7-8-10-16(14)20-19-15(18)12-13-22(19)2/h7-10H,3-6,11-13H2,1-2H3,(H,20,21,23)
InChIKeyORLARZUHOHSRIB-UHFFFAOYSA-N
XLogP4.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide
CID 3114093
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 1142495
2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride
CID 52994942
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
2-(4-benzhydrylpiperazin-1-yl)-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;oxalic acid
CID 2854771
N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide
CID 23937897
1-(dodecanoylamino)naphthalene-2-carboxylic acid
CID 21470620
2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide
CID 1099165
4-ethoxy-1-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 23269827
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-[2-(dimethylamino)quinolin-4-yl]decanamide
CID 5168839

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide?
The IUPAC name of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide (CID 3102829) is N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide?
The canonical SMILES for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide is CCCCCCC(=O)Nc1c2c(nc3ccccc13)N(C)CC2.
What is the InChIKey of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide?
The InChIKey is ORLARZUHOHSRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-3-4-5-6-11-17(23)21-18-14-9-7-8-10-16(14)20-19-15(18)12-13-22(19)2/h7-10H,3-6,11-13H2,1-2H3,(H,20,21,23).
What are the key properties of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide?
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide has a molecular weight of 311.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide is sourced from PubChem (CID 3102829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).