4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one

C18H20ClN5O2 — CID 67443147

IUPAC4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one
SMILESCN(Cc1cnc2c(c1)OCCN2C)C1=CC2C(Cl)=NNC(=O)C2C=C1
InChIInChI=1S/C18H20ClN5O2/c1-23-5-6-26-15-7-11(9-20-17(15)23)10-24(2)12-3-4-13-14(8-12)16(19)21-22-18(13)25/h3-4,7-9,13-14H,5-6,10H2,1-2H3,(H,22,25)
InChIKeyLOYYEQYSJDVJOW-UHFFFAOYSA-N
MW373.84 g/mol
LogP1.71
Rot. Bonds3

About 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one

4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one (PubChem CID 67443147) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one
PubChem CID67443147
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one
SMILESCN(Cc1cnc2c(c1)OCCN2C)C1=CC2C(Cl)=NNC(=O)C2C=C1
InChIInChI=1S/C18H20ClN5O2/c1-23-5-6-26-15-7-11(9-20-17(15)23)10-24(2)12-3-4-13-14(8-12)16(19)21-22-18(13)25/h3-4,7-9,13-14H,5-6,10H2,1-2H3,(H,22,25)
InChIKeyLOYYEQYSJDVJOW-UHFFFAOYSA-N
XLogP1.71
TPSA70.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one?
The IUPAC name of 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one (CID 67443147) is 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one.
What is the SMILES notation for 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one?
The canonical SMILES for 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one is CN(Cc1cnc2c(c1)OCCN2C)C1=CC2C(Cl)=NNC(=O)C2C=C1.
What is the InChIKey of 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one?
The InChIKey is LOYYEQYSJDVJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-23-5-6-26-15-7-11(9-20-17(15)23)10-24(2)12-3-4-13-14(8-12)16(19)21-22-18(13)25/h3-4,7-9,13-14H,5-6,10H2,1-2H3,(H,22,25).
What are the key properties of 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one?
4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one has a molecular weight of 373.84 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[methyl-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methyl]amino]-4a,8a-dihydro-2H-phthalazin-1-one is sourced from PubChem (CID 67443147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).