3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-

C14H15N3 — CID 135530303

IUPACN,N-dimethyl-1-(6H-pyrrolo[3,2-f]quinolin-1-yl)methanamine
SMILESCN(C)CC1=C2C3=CC=CNC3=CC=C2N=C1
InChIInChI=1S/C14H15N3/c1-17(2)9-10-8-16-13-6-5-12-11(14(10)13)4-3-7-15-12/h3-8,15H,9H2,1-2H3
InChIKeyKYNYVJZMXSBWBS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds2

About 3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-

3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl- (PubChem CID 135530303) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N,N-dimethyl-1-(6H-pyrrolo[3,2-f]quinolin-1-yl)methanamine.

Molecular Properties

Compound Name3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-
PubChem CID135530303
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC NameN,N-dimethyl-1-(6H-pyrrolo[3,2-f]quinolin-1-yl)methanamine
SMILESCN(C)CC1=C2C3=CC=CNC3=CC=C2N=C1
InChIInChI=1S/C14H15N3/c1-17(2)9-10-8-16-13-6-5-12-11(14(10)13)4-3-7-15-12/h3-8,15H,9H2,1-2H3
InChIKeyKYNYVJZMXSBWBS-UHFFFAOYSA-N
XLogP1.50
TPSA27.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity540

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Imidazo[4,5-f]quinoline
CID 164569
1H-Pyrrolo[2,3-f]quinoline
CID 135645806
7H-pyrrolo[3,2-f]quinoxaline
CID 135788037
Dihydropyrroloisoquinoline
CID 66919674
Cyclopentaquinoxaline
CID 87519722
8H-pyrrolo[3,4-f][1,10]phenanthroline
CID 135415051
Pyrrolo[3,4-f]quinoline
CID 135463236
1H-Imidazo[4,5-f][1,10]phenanthroline
CID 135894299
9H-Pyrrolo[2,3-f]quinoxaline
CID 136219612
4,5-Dihydropyrroloquinoxaline
CID 138756856
4,5-Dihydro-beta-carboline
CID 139024388
(Z)-2-[(2-fluoro-1-methyl-2H-pyridin-6-yl)methyl]-3-iminoprop-1-en-1-amine
CID 165121016

Frequently Asked Questions

What is the IUPAC name of 3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-?
The IUPAC name of 3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl- (CID 135530303) is N,N-dimethyl-1-(6H-pyrrolo[3,2-f]quinolin-1-yl)methanamine.
What is the SMILES notation for 3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-?
The canonical SMILES for 3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl- is CN(C)CC1=C2C3=CC=CNC3=CC=C2N=C1.
What is the InChIKey of 3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-?
The InChIKey is KYNYVJZMXSBWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-17(2)9-10-8-16-13-6-5-12-11(14(10)13)4-3-7-15-12/h3-8,15H,9H2,1-2H3.
What are the key properties of 3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl-?
3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl- has a molecular weight of 225.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-Pyrrolo[3,2-f]quinoline-1-methanamine, N,N-dimethyl- is sourced from PubChem (CID 135530303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).