benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline

C20H22N2 — CID 155732217

IUPACbenzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
SMILESCC(C)c1ccc2cc3c(nc2c1)NCC3.c1ccccc1
InChIInChI=1S/C14H16N2.C6H6/c1-9(2)10-3-4-11-7-12-5-6-15-14(12)16-13(11)8-10;1-2-4-6-5-3-1/h3-4,7-9H,5-6H2,1-2H3,(H,15,16);1-6H
InChIKeyZZLYQHULJRLBPE-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.01
Rot. Bonds1

About benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline

benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline (PubChem CID 155732217) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Namebenzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
PubChem CID155732217
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Namebenzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
SMILESCC(C)c1ccc2cc3c(nc2c1)NCC3.c1ccccc1
InChIInChI=1S/C14H16N2.C6H6/c1-9(2)10-3-4-11-7-12-5-6-15-14(12)16-13(11)8-10;1-2-4-6-5-3-1/h3-4,7-9H,5-6H2,1-2H3,(H,15,16);1-6H
InChIKeyZZLYQHULJRLBPE-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-ylspiro[1,3-dihydropyrrolo[2,3-b]quinoline-2,1'-cyclopropane]
CID 155362858
(3S)-3-methyl-6-propan-2-yl-1,2,3,4-tetrahydroacridine
CID 165004844
6-propan-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 164969621
7-[2-(3-methylcyclopentyl)ethyl]-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
CID 153401880
N-phenyl-7-propan-2-ylquinolin-2-amine
CID 126500193
(3R)-3-cyclobutyl-6-propan-2-yl-1,2,3,4-tetrahydroacridine
CID 165004848
7-propan-2-yl-3-pyridin-3-ylquinolin-2-amine
CID 155185229
(3S)-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-b]quinoline
CID 165056031
2-iodo-7-propan-2-ylquinoline
CID 155701301
2,8-di(propan-2-yl)phenazine
CID 70800003
8-propan-2-yl-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one
CID 137457123
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791

Frequently Asked Questions

What is the IUPAC name of benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
The IUPAC name of benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline (CID 155732217) is benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline.
What is the SMILES notation for benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
The canonical SMILES for benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline is CC(C)c1ccc2cc3c(nc2c1)NCC3.c1ccccc1.
What is the InChIKey of benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
The InChIKey is ZZLYQHULJRLBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2.C6H6/c1-9(2)10-3-4-11-7-12-5-6-15-14(12)16-13(11)8-10;1-2-4-6-5-3-1/h3-4,7-9H,5-6H2,1-2H3,(H,15,16);1-6H.
What are the key properties of benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline has a molecular weight of 290.41 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;7-propan-2-yl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline is sourced from PubChem (CID 155732217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).