3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol

C18H17ClN4O — CID 118243145

IUPAC3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
SMILESOc1cccc(-c2nc(N3CCCCC3)nc3cc(Cl)cnc23)c1
InChIInChI=1S/C18H17ClN4O/c19-13-10-15-17(20-11-13)16(12-5-4-6-14(24)9-12)22-18(21-15)23-7-2-1-3-8-23/h4-6,9-11,24H,1-3,7-8H2
InChIKeyWEGQVHAYNANFDV-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.04
Rot. Bonds2

About 3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol

3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol (PubChem CID 118243145) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol.

Molecular Properties

Compound Name3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
PubChem CID118243145
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol
SMILESOc1cccc(-c2nc(N3CCCCC3)nc3cc(Cl)cnc23)c1
InChIInChI=1S/C18H17ClN4O/c19-13-10-15-17(20-11-13)16(12-5-4-6-14(24)9-12)22-18(21-15)23-7-2-1-3-8-23/h4-6,9-11,24H,1-3,7-8H2
InChIKeyWEGQVHAYNANFDV-UHFFFAOYSA-N
XLogP4.04
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
The IUPAC name of 3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol (CID 118243145) is 3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol.
What is the SMILES notation for 3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
The canonical SMILES for 3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol is Oc1cccc(-c2nc(N3CCCCC3)nc3cc(Cl)cnc23)c1.
What is the InChIKey of 3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
The InChIKey is WEGQVHAYNANFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c19-13-10-15-17(20-11-13)16(12-5-4-6-14(24)9-12)22-18(21-15)23-7-2-1-3-8-23/h4-6,9-11,24H,1-3,7-8H2.
What are the key properties of 3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol?
3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol has a molecular weight of 340.81 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-2-piperidin-1-ylpyrido[3,2-d]pyrimidin-4-yl)phenol is sourced from PubChem (CID 118243145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).