6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one

C21H18ClN5O2 — CID 3235468

IUPAC6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N(C)C)nc32)cc1
InChIInChI=1S/C21H18ClN5O2/c1-26(2)21-23-12-17-19(25-21)27(15-8-10-16(29-3)11-9-15)20(28)18(24-17)13-4-6-14(22)7-5-13/h4-12H,1-3H3
InChIKeyRXRNPPONSDQSFF-UHFFFAOYSA-N
MW407.86 g/mol
LogP3.57
Rot. Bonds4

About 6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one

6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3235468) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one
PubChem CID3235468
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N(C)C)nc32)cc1
InChIInChI=1S/C21H18ClN5O2/c1-26(2)21-23-12-17-19(25-21)27(15-8-10-16(29-3)11-9-15)20(28)18(24-17)13-4-6-14(22)7-5-13/h4-12H,1-3H3
InChIKeyRXRNPPONSDQSFF-UHFFFAOYSA-N
XLogP3.57
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one (CID 3235468) is 6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one is COc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cnc(N(C)C)nc32)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is RXRNPPONSDQSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-26(2)21-23-12-17-19(25-21)27(15-8-10-16(29-3)11-9-15)20(28)18(24-17)13-4-6-14(22)7-5-13/h4-12H,1-3H3.
What are the key properties of 6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one?
6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 407.86 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(dimethylamino)-8-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3235468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).