1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

C17H15N3 — CID 657773

IUPAC1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3ccccc13)N(c1ccccc1)CC2
InChIInChI=1S/C17H15N3/c18-16-13-8-4-5-9-15(13)19-17-14(16)10-11-20(17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,19)
InChIKeyIBYGZZKGKLQRQF-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.51
Rot. Bonds1

About 1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine

1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (PubChem CID 657773) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.

Molecular Properties

Compound Name1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
PubChem CID657773
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
SMILESNc1c2c(nc3ccccc13)N(c1ccccc1)CC2
InChIInChI=1S/C17H15N3/c18-16-13-8-4-5-9-15(13)19-17-14(16)10-11-20(17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,19)
InChIKeyIBYGZZKGKLQRQF-UHFFFAOYSA-N
XLogP3.51
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imiquimod
CID 57469
Quipazine
CID 5011
3-Amino-1,4-dimethyl-5H-pyrido(4,3-b)indole
CID 5284474
3-Amino-1-methyl-5H-pyrido(4,3-b)indole
CID 5284476
2-Aminoquinoline
CID 11379
2,4-Diaminoquinazoline
CID 65087
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
1954U89
CID 177894
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
N-Methylquipazine
CID 5013

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The IUPAC name of 1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine (CID 657773) is 1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine.
What is the SMILES notation for 1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The canonical SMILES for 1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2.
What is the InChIKey of 1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
The InChIKey is IBYGZZKGKLQRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-16-13-8-4-5-9-15(13)19-17-14(16)10-11-20(17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H2,18,19).
What are the key properties of 1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine?
1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine is sourced from PubChem (CID 657773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).