7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

C23H27N3O2 — CID 59237200

IUPAC7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
SMILESCOc1cccc(-c2c(C(N)=O)[nH]c3cc4c(nc23)CCC(C(C)(C)C)C4)c1
InChIInChI=1S/C23H27N3O2/c1-23(2,3)15-8-9-17-14(10-15)12-18-20(25-17)19(21(26-18)22(24)27)13-6-5-7-16(11-13)28-4/h5-7,11-12,15,26H,8-10H2,1-4H3,(H2,24,27)
InChIKeyPXKYNLHNEKHLIM-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.49
Rot. Bonds3

About 7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (PubChem CID 59237200) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
PubChem CID59237200
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
SMILESCOc1cccc(-c2c(C(N)=O)[nH]c3cc4c(nc23)CCC(C(C)(C)C)C4)c1
InChIInChI=1S/C23H27N3O2/c1-23(2,3)15-8-9-17-14(10-15)12-18-20(25-17)19(21(26-18)22(24)27)13-6-5-7-16(11-13)28-4/h5-7,11-12,15,26H,8-10H2,1-4H3,(H2,24,27)
InChIKeyPXKYNLHNEKHLIM-UHFFFAOYSA-N
XLogP4.49
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The IUPAC name of 7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (CID 59237200) is 7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The canonical SMILES for 7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is COc1cccc(-c2c(C(N)=O)[nH]c3cc4c(nc23)CCC(C(C)(C)C)C4)c1.
What is the InChIKey of 7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The InChIKey is PXKYNLHNEKHLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-23(2,3)15-8-9-17-14(10-15)12-18-20(25-17)19(21(26-18)22(24)27)13-6-5-7-16(11-13)28-4/h5-7,11-12,15,26H,8-10H2,1-4H3,(H2,24,27).
What are the key properties of 7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is sourced from PubChem (CID 59237200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).