(6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone

C28H26N2O2 — CID 174511690

IUPAC(6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
SMILESO=C(c1ccc(N2CCOCC2)nc1)C1C=c2c(ccc3c2=CCc2ccccc2-3)CC1
InChIInChI=1S/C28H26N2O2/c31-28(22-9-12-27(29-18-22)30-13-15-32-16-14-30)21-6-5-20-8-10-24-23-4-2-1-3-19(23)7-11-25(24)26(20)17-21/h1-4,8-12,17-18,21H,5-7,13-16H2
InChIKeyJVWHHXZCMIGFKP-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.15
Rot. Bonds3

About (6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone

(6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone (PubChem CID 174511690) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone.

Molecular Properties

Compound Name(6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
PubChem CID174511690
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name(6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone
SMILESO=C(c1ccc(N2CCOCC2)nc1)C1C=c2c(ccc3c2=CCc2ccccc2-3)CC1
InChIInChI=1S/C28H26N2O2/c31-28(22-9-12-27(29-18-22)30-13-15-32-16-14-30)21-6-5-20-8-10-24-23-4-2-1-3-19(23)7-11-25(24)26(20)17-21/h1-4,8-12,17-18,21H,5-7,13-16H2
InChIKeyJVWHHXZCMIGFKP-UHFFFAOYSA-N
XLogP3.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone?
The IUPAC name of (6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone (CID 174511690) is (6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone.
What is the SMILES notation for (6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone?
The canonical SMILES for (6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone is O=C(c1ccc(N2CCOCC2)nc1)C1C=c2c(ccc3c2=CCc2ccccc2-3)CC1.
What is the InChIKey of (6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone?
The InChIKey is JVWHHXZCMIGFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O2/c31-28(22-9-12-27(29-18-22)30-13-15-32-16-14-30)21-6-5-20-8-10-24-23-4-2-1-3-19(23)7-11-25(24)26(20)17-21/h1-4,8-12,17-18,21H,5-7,13-16H2.
What are the key properties of (6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone?
(6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone has a molecular weight of 422.53 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-morpholin-4-yl-3-pyridinyl)-(1,2,3,6-tetrahydrochrysen-3-yl)methanone is sourced from PubChem (CID 174511690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).