1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

C16H20N2 — CID 132532119

IUPAC1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1c2c(nc3ccccc13)N(C(C)(C)C)CC2
InChIInChI=1S/C16H20N2/c1-11-12-7-5-6-8-14(12)17-15-13(11)9-10-18(15)16(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyDKAMAZCOXIALLQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.70
Rot. Bonds

About 1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline

1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (PubChem CID 132532119) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
PubChem CID132532119
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
SMILESCc1c2c(nc3ccccc13)N(C(C)(C)C)CC2
InChIInChI=1S/C16H20N2/c1-11-12-7-5-6-8-14(12)17-15-13(11)9-10-18(15)16(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyDKAMAZCOXIALLQ-UHFFFAOYSA-N
XLogP3.70
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,1-trimethyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
CID 14290435
4-ethoxy-1-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 23269827
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
CID 158548153
11-methyl-8,9-didehydro-7,10-dihydro-6H-cyclohepta[b]quinoline
CID 143904669
2,9-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 58351930
11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline
CID 3044001
(4S)-4-chloro-9-methyl-1,2,3,4-tetrahydroacridine
CID 7063961
4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
2-(11-methyl-1,2,4,5-tetrahydroazepino[4,5-b]quinolin-3-yl)-1-morpholin-4-ylethanone
CID 158645776
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;1,10-phenanthroline
CID 67708124
3,4,9-trimethylacridine
CID 58813802
1-methyl-2,3,4,5-tetrahydroazepino[2,3-b]quinolin-6-amine;oxalic acid
CID 2831775

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The IUPAC name of 1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline (CID 132532119) is 1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline.
What is the SMILES notation for 1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The canonical SMILES for 1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is Cc1c2c(nc3ccccc13)N(C(C)(C)C)CC2.
What is the InChIKey of 1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
The InChIKey is DKAMAZCOXIALLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-12-7-5-6-8-14(12)17-15-13(11)9-10-18(15)16(2,3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline?
1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline has a molecular weight of 240.35 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-2,3-dihydropyrrolo[2,3-b]quinoline is sourced from PubChem (CID 132532119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).