2-anilino-8-(4-methoxyphenyl)pteridin-7-one

C19H15N5O2 — CID 3235039

IUPAC2-anilino-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)cnc3cnc(Nc4ccccc4)nc32)cc1
InChIInChI=1S/C19H15N5O2/c1-26-15-9-7-14(8-10-15)24-17(25)12-20-16-11-21-19(23-18(16)24)22-13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22,23)
InChIKeySJWIFAAVKIARKU-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.93
Rot. Bonds4

About 2-anilino-8-(4-methoxyphenyl)pteridin-7-one

2-anilino-8-(4-methoxyphenyl)pteridin-7-one (PubChem CID 3235039) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-anilino-8-(4-methoxyphenyl)pteridin-7-one.

Molecular Properties

Compound Name2-anilino-8-(4-methoxyphenyl)pteridin-7-one
PubChem CID3235039
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2-anilino-8-(4-methoxyphenyl)pteridin-7-one
SMILESCOc1ccc(-n2c(=O)cnc3cnc(Nc4ccccc4)nc32)cc1
InChIInChI=1S/C19H15N5O2/c1-26-15-9-7-14(8-10-15)24-17(25)12-20-16-11-21-19(23-18(16)24)22-13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22,23)
InChIKeySJWIFAAVKIARKU-UHFFFAOYSA-N
XLogP2.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 124111565
Spebrutinib
CID 59174488
Tirabrutinib
CID 54755438
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 58
CID 5330244
4-[2-(ethylamino)pyrido[3,2-d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 156599543
2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
2,4-Disubstituted Pyrimidine 2g
CID 5329420
8-ethyl-2-(4-methoxyphenylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330211
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30
CID 5330216
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57
CID 5330243

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(4-methoxyphenyl)pteridin-7-one?
The IUPAC name of 2-anilino-8-(4-methoxyphenyl)pteridin-7-one (CID 3235039) is 2-anilino-8-(4-methoxyphenyl)pteridin-7-one.
What is the SMILES notation for 2-anilino-8-(4-methoxyphenyl)pteridin-7-one?
The canonical SMILES for 2-anilino-8-(4-methoxyphenyl)pteridin-7-one is COc1ccc(-n2c(=O)cnc3cnc(Nc4ccccc4)nc32)cc1.
What is the InChIKey of 2-anilino-8-(4-methoxyphenyl)pteridin-7-one?
The InChIKey is SJWIFAAVKIARKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-26-15-9-7-14(8-10-15)24-17(25)12-20-16-11-21-19(23-18(16)24)22-13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22,23).
What are the key properties of 2-anilino-8-(4-methoxyphenyl)pteridin-7-one?
2-anilino-8-(4-methoxyphenyl)pteridin-7-one has a molecular weight of 345.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(4-methoxyphenyl)pteridin-7-one is sourced from PubChem (CID 3235039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).