7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

C23H25N3O3 — CID 143709060

IUPAC7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
SMILESCC(C)(C)C1CCc2nc3cc(C(=O)NCc4ccc5ooc5c4)[nH]c3cc2C1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)15-5-6-16-14(9-15)10-17-18(25-16)11-19(26-17)22(27)24-12-13-4-7-20-21(8-13)29-28-20/h4,7-8,10-11,15,26H,5-6,9,12H2,1-3H3,(H,24,27)
InChIKeyBVZNRDPMTNOJAH-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.98
Rot. Bonds3

About 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (PubChem CID 143709060) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
PubChem CID143709060
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
SMILESCC(C)(C)C1CCc2nc3cc(C(=O)NCc4ccc5ooc5c4)[nH]c3cc2C1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)15-5-6-16-14(9-15)10-17-18(25-16)11-19(26-17)22(27)24-12-13-4-7-20-21(8-13)29-28-20/h4,7-8,10-11,15,26H,5-6,9,12H2,1-3H3,(H,24,27)
InChIKeyBVZNRDPMTNOJAH-UHFFFAOYSA-N
XLogP4.98
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide with MolForge

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Related Compounds

7-tert-butyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
CID 59237214
7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
CID 89094332
(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-2-yl)methanol;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
CID 159315723
7-tert-butyl-5,6,7,8-tetrahydroacridine-2-carboxylic acid
CID 155320047
ethyl 7-tert-butyl-3-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxylate
CID 59237237
N-(2-aminoethyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 11847752
7-tert-butyl-3-(3-hydroxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
CID 59237161
N-[1-(7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinolin-3-yl)ethenyl]propan-1-amine
CID 143709083
N-[(6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)methyl]cyclopropanecarboxamide
CID 143292556
7-tert-butyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxamide;ethyl 7-tert-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-3-carboxylate
CID 158500976
6-tert-butyl-N-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide;6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylic acid
CID 158244889
7-tert-butyl-3-(3-methoxyphenyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
CID 59237200

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The IUPAC name of 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (CID 143709060) is 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The canonical SMILES for 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is CC(C)(C)C1CCc2nc3cc(C(=O)NCc4ccc5ooc5c4)[nH]c3cc2C1.
What is the InChIKey of 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The InChIKey is BVZNRDPMTNOJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(2,3)15-5-6-16-14(9-15)10-17-18(25-16)11-19(26-17)22(27)24-12-13-4-7-20-21(8-13)29-28-20/h4,7-8,10-11,15,26H,5-6,9,12H2,1-3H3,(H,24,27).
What are the key properties of 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-(7,8-dioxabicyclo[4.2.0]octa-1(6),2,4-trien-3-ylmethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is sourced from PubChem (CID 143709060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).