3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one

C27H21NO — CID 174816330

IUPAC3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1C=CC2=C(CCc3c2ccc2ccccc32)C1
InChIInChI=1S/C27H21NO/c29-27-25(16-20-6-2-4-8-26(20)28-27)19-10-12-22-18(15-19)11-14-23-21-7-3-1-5-17(21)9-13-24(22)23/h1-10,12-13,16,19H,11,14-15H2,(H,28,29)
InChIKeyMTCPHCIFBGCREE-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.12
Rot. Bonds1

About 3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one

3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one (PubChem CID 174816330) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one
PubChem CID174816330
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1C1C=CC2=C(CCc3c2ccc2ccccc32)C1
InChIInChI=1S/C27H21NO/c29-27-25(16-20-6-2-4-8-26(20)28-27)19-10-12-22-18(15-19)11-14-23-21-7-3-1-5-17(21)9-13-24(22)23/h1-10,12-13,16,19H,11,14-15H2,(H,28,29)
InChIKeyMTCPHCIFBGCREE-UHFFFAOYSA-N
XLogP6.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one?
The IUPAC name of 3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one (CID 174816330) is 3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1C1C=CC2=C(CCc3c2ccc2ccccc32)C1.
What is the InChIKey of 3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one?
The InChIKey is MTCPHCIFBGCREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c29-27-25(16-20-6-2-4-8-26(20)28-27)19-10-12-22-18(15-19)11-14-23-21-7-3-1-5-17(21)9-13-24(22)23/h1-10,12-13,16,19H,11,14-15H2,(H,28,29).
What are the key properties of 3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one?
3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one has a molecular weight of 375.47 g/mol, XLogP of 6.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,11,12-tetrahydrochrysen-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 174816330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).