1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea

C19H18N4O — CID 4903028

IUPAC1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)Nc1ccccc1)CC3
InChIInChI=1S/C19H18N4O/c1-13-7-8-14-12-15-9-10-23(18(15)21-17(14)11-13)22-19(24)20-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3,(H2,20,22,24)
InChIKeyQORKLIXQBCKNCB-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.64
Rot. Bonds2

About 1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea

1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea (PubChem CID 4903028) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea
PubChem CID4903028
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)Nc1ccccc1)CC3
InChIInChI=1S/C19H18N4O/c1-13-7-8-14-12-15-9-10-23(18(15)21-17(14)11-13)22-19(24)20-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3,(H2,20,22,24)
InChIKeyQORKLIXQBCKNCB-UHFFFAOYSA-N
XLogP3.64
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea?
The IUPAC name of 1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea (CID 4903028) is 1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea.
What is the SMILES notation for 1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea?
The canonical SMILES for 1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea is Cc1ccc2cc3c(nc2c1)N(NC(=O)Nc1ccccc1)CC3.
What is the InChIKey of 1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea?
The InChIKey is QORKLIXQBCKNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-7-8-14-12-15-9-10-23(18(15)21-17(14)11-13)22-19(24)20-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3,(H2,20,22,24).
What are the key properties of 1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea?
1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea has a molecular weight of 318.38 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylurea is sourced from PubChem (CID 4903028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).