7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one

C24H28ClN5O3 — CID 24888266

IUPAC7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c21
InChIInChI=1S/C24H28ClN5O3/c1-29-23(31)3-2-20-24(29)18(19(25)14-28-20)6-9-30-7-4-16(5-8-30)26-13-17-12-21-22(15-27-17)33-11-10-32-21/h2-3,12,14-16,26H,4-11,13H2,1H3
InChIKeySIHCNFDSOJTGCD-UHFFFAOYSA-N
MW469.97 g/mol
LogP2.55
Rot. Bonds6

About 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one

7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one (PubChem CID 24888266) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one
PubChem CID24888266
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c21
InChIInChI=1S/C24H28ClN5O3/c1-29-23(31)3-2-20-24(29)18(19(25)14-28-20)6-9-30-7-4-16(5-8-30)26-13-17-12-21-22(15-27-17)33-11-10-32-21/h2-3,12,14-16,26H,4-11,13H2,1H3
InChIKeySIHCNFDSOJTGCD-UHFFFAOYSA-N
XLogP2.55
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one (CID 24888266) is 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one is Cn1c(=O)ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c21.
What is the InChIKey of 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one?
The InChIKey is SIHCNFDSOJTGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-29-23(31)3-2-20-24(29)18(19(25)14-28-20)6-9-30-7-4-16(5-8-30)26-13-17-12-21-22(15-27-17)33-11-10-32-21/h2-3,12,14-16,26H,4-11,13H2,1H3.
What are the key properties of 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one?
7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 469.97 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 24888266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).