N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide

C33H25N3O — CID 174413622

IUPACN-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2cc1C1C=CC2=C(CCc3c2ccc2ccccc32)C1)c1ccccn1
InChIInChI=1S/C33H25N3O/c37-33(31-11-5-6-18-34-31)36-32-29(20-24-8-2-4-10-30(24)35-32)23-13-15-26-22(19-23)14-17-27-25-9-3-1-7-21(25)12-16-28(26)27/h1-13,15-16,18,20,23H,14,17,19H2,(H,35,36,37)
InChIKeyTWOMDXKWJUXDMC-UHFFFAOYSA-N
MW479.58 g/mol
LogP7.48
Rot. Bonds3

About N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide

N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide (PubChem CID 174413622) has the molecular formula C33H25N3O and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide
PubChem CID174413622
Molecular FormulaC33H25N3O
Molecular Weight479.58 g/mol
Exact Mass479.20
IUPAC NameN-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccccc2cc1C1C=CC2=C(CCc3c2ccc2ccccc32)C1)c1ccccn1
InChIInChI=1S/C33H25N3O/c37-33(31-11-5-6-18-34-31)36-32-29(20-24-8-2-4-10-30(24)35-32)23-13-15-26-22(19-23)14-17-27-25-9-3-1-7-21(25)12-16-28(26)27/h1-13,15-16,18,20,23H,14,17,19H2,(H,35,36,37)
InChIKeyTWOMDXKWJUXDMC-UHFFFAOYSA-N
XLogP7.48
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide (CID 174413622) is N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide is O=C(Nc1nc2ccccc2cc1C1C=CC2=C(CCc3c2ccc2ccccc32)C1)c1ccccn1.
What is the InChIKey of N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide?
The InChIKey is TWOMDXKWJUXDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3O/c37-33(31-11-5-6-18-34-31)36-32-29(20-24-8-2-4-10-30(24)35-32)23-13-15-26-22(19-23)14-17-27-25-9-3-1-7-21(25)12-16-28(26)27/h1-13,15-16,18,20,23H,14,17,19H2,(H,35,36,37).
What are the key properties of N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide?
N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 7.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2,11,12-tetrahydrochrysen-2-yl)quinolin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 174413622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).