7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

C23H21ClN4O2 — CID 146451918

IUPAC7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCOc1cncc(-c2ccc3c(cc(-c4cnc5c(c4)OCCN5C)n3C)c2Cl)c1
InChIInChI=1S/C23H21ClN4O2/c1-27-6-7-30-21-9-15(12-26-23(21)27)20-10-18-19(28(20)2)5-4-17(22(18)24)14-8-16(29-3)13-25-11-14/h4-5,8-13H,6-7H2,1-3H3
InChIKeyYYLYJSXXINTZHA-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.79
Rot. Bonds3

About 7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 146451918) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID146451918
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCOc1cncc(-c2ccc3c(cc(-c4cnc5c(c4)OCCN5C)n3C)c2Cl)c1
InChIInChI=1S/C23H21ClN4O2/c1-27-6-7-30-21-9-15(12-26-23(21)27)20-10-18-19(28(20)2)5-4-17(22(18)24)14-8-16(29-3)13-25-11-14/h4-5,8-13H,6-7H2,1-3H3
InChIKeyYYLYJSXXINTZHA-UHFFFAOYSA-N
XLogP4.79
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 146451918) is 7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is COc1cncc(-c2ccc3c(cc(-c4cnc5c(c4)OCCN5C)n3C)c2Cl)c1.
What is the InChIKey of 7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is YYLYJSXXINTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-27-6-7-30-21-9-15(12-26-23(21)27)20-10-18-19(28(20)2)5-4-17(22(18)24)14-8-16(29-3)13-25-11-14/h4-5,8-13H,6-7H2,1-3H3.
What are the key properties of 7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 420.90 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-chloro-5-(5-methoxy-3-pyridinyl)-1-methylindol-2-yl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 146451918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).