[3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone

C27H23N3O2 — CID 162134132

IUPAC[3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
SMILESO=C(c1occc1CNc1ccc2cccnc2c1)N1CCC2=C(Cc3ccccc32)C1
InChIInChI=1S/C27H23N3O2/c31-27(30-12-9-24-21(17-30)14-19-4-1-2-6-23(19)24)26-20(10-13-32-26)16-29-22-8-7-18-5-3-11-28-25(18)15-22/h1-8,10-11,13,15,29H,9,12,14,16-17H2
InChIKeyUXDAEJLUVBLZOP-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.30
Rot. Bonds4

About [3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone

[3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone (PubChem CID 162134132) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is [3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
PubChem CID162134132
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name[3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone
SMILESO=C(c1occc1CNc1ccc2cccnc2c1)N1CCC2=C(Cc3ccccc32)C1
InChIInChI=1S/C27H23N3O2/c31-27(30-12-9-24-21(17-30)14-19-4-1-2-6-23(19)24)26-20(10-13-32-26)16-29-22-8-7-18-5-3-11-28-25(18)15-22/h1-8,10-11,13,15,29H,9,12,14,16-17H2
InChIKeyUXDAEJLUVBLZOP-UHFFFAOYSA-N
XLogP5.30
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
The IUPAC name of [3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone (CID 162134132) is [3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone.
What is the SMILES notation for [3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
The canonical SMILES for [3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone is O=C(c1occc1CNc1ccc2cccnc2c1)N1CCC2=C(Cc3ccccc32)C1.
What is the InChIKey of [3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
The InChIKey is UXDAEJLUVBLZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c31-27(30-12-9-24-21(17-30)14-19-4-1-2-6-23(19)24)26-20(10-13-32-26)16-29-22-8-7-18-5-3-11-28-25(18)15-22/h1-8,10-11,13,15,29H,9,12,14,16-17H2.
What are the key properties of [3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone?
[3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone has a molecular weight of 421.50 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(quinolin-7-ylamino)methyl]furan-2-yl]-(1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)methanone is sourced from PubChem (CID 162134132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).