ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate

C18H16Cl2N4O2 — CID 162351958

IUPACethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3cc(Cl)cc(Cl)c3)ncnc2c1N(C)C
InChIInChI=1S/C18H16Cl2N4O2/c1-4-26-18(25)13-8-21-15-14(10-5-11(19)7-12(20)6-10)22-9-23-16(15)17(13)24(2)3/h5-9H,4H2,1-3H3
InChIKeyRVPNYVXSWRLXMZ-UHFFFAOYSA-N
MW391.26 g/mol
LogP4.24
Rot. Bonds4

About ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate

ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate (PubChem CID 162351958) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate
PubChem CID162351958
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC Nameethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3cc(Cl)cc(Cl)c3)ncnc2c1N(C)C
InChIInChI=1S/C18H16Cl2N4O2/c1-4-26-18(25)13-8-21-15-14(10-5-11(19)7-12(20)6-10)22-9-23-16(15)17(13)24(2)3/h5-9H,4H2,1-3H3
InChIKeyRVPNYVXSWRLXMZ-UHFFFAOYSA-N
XLogP4.24
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxylate
CID 162351959
ethyl 2-(3,5-dichlorophenyl)-4-ethylpyrimidine-5-carboxylate
CID 107918029
ethyl 8-(2,3-dichlorophenyl)-4-(dimethylamino)-7-fluoroquinoline-3-carboxylate
CID 156882033
ethyl 4-(dimethylamino)-7-fluoro-8-(2,3,5-trifluorophenyl)quinoline-3-carboxylate
CID 156881974
ethyl 7-chloro-4-(dimethylamino)-6-methoxyquinoline-3-carboxylate
CID 54772978
diethyl 4-(dimethylamino)quinoline-3,7-dicarboxylate
CID 43839933
ethyl 7-bromo-4-(dimethylamino)quinoline-3-carboxylate
CID 50877246
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
ethyl 2-(3,5-dichloroanilino)-4-methylpyrimidine-5-carboxylate
CID 17121379
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate?
The IUPAC name of ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate (CID 162351958) is ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate.
What is the SMILES notation for ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate?
The canonical SMILES for ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate is CCOC(=O)c1cnc2c(-c3cc(Cl)cc(Cl)c3)ncnc2c1N(C)C.
What is the InChIKey of ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate?
The InChIKey is RVPNYVXSWRLXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-4-26-18(25)13-8-21-15-14(10-5-11(19)7-12(20)6-10)22-9-23-16(15)17(13)24(2)3/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate?
ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate has a molecular weight of 391.26 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,5-dichlorophenyl)-8-(dimethylamino)pyrido[3,2-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 162351958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).