2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol

C30H25N3O — CID 176606207

IUPAC2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Cc4ccc5cccc(O)c5n4)cc32)c1
InChIInChI=1S/C30H25N3O/c1-19(2)22-14-15-31-29(18-22)33-26-8-4-3-7-24(26)25-13-10-20(17-27(25)33)16-23-12-11-21-6-5-9-28(34)30(21)32-23/h3-15,17-19,34H,16H2,1-2H3
InChIKeyFWECXTXYRNCYFE-UHFFFAOYSA-N
MW443.55 g/mol
LogP7.15
Rot. Bonds4

About 2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol

2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol (PubChem CID 176606207) has the molecular formula C30H25N3O and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol
PubChem CID176606207
Molecular FormulaC30H25N3O
Molecular Weight443.55 g/mol
Exact Mass443.20
IUPAC Name2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Cc4ccc5cccc(O)c5n4)cc32)c1
InChIInChI=1S/C30H25N3O/c1-19(2)22-14-15-31-29(18-22)33-26-8-4-3-7-24(26)25-13-10-20(17-27(25)33)16-23-12-11-21-6-5-9-28(34)30(21)32-23/h3-15,17-19,34H,16H2,1-2H3
InChIKeyFWECXTXYRNCYFE-UHFFFAOYSA-N
XLogP7.15
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.55
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol?
The IUPAC name of 2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol (CID 176606207) is 2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol.
What is the SMILES notation for 2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol?
The canonical SMILES for 2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol is CC(C)c1ccnc(-n2c3ccccc3c3ccc(Cc4ccc5cccc(O)c5n4)cc32)c1.
What is the InChIKey of 2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol?
The InChIKey is FWECXTXYRNCYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O/c1-19(2)22-14-15-31-29(18-22)33-26-8-4-3-7-24(26)25-13-10-20(17-27(25)33)16-23-12-11-21-6-5-9-28(34)30(21)32-23/h3-15,17-19,34H,16H2,1-2H3.
What are the key properties of 2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol?
2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol has a molecular weight of 443.55 g/mol, XLogP of 7.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol is sourced from PubChem (CID 176606207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).