3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine

C18H19ClN4O2 — CID 57392232

IUPAC3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine
SMILESCOc1cc2nncc(-c3cnc(NC(C)C)c(Cl)c3)c2cc1OC
InChIInChI=1S/C18H19ClN4O2/c1-10(2)22-18-14(19)5-11(8-20-18)13-9-21-23-15-7-17(25-4)16(24-3)6-12(13)15/h5-10H,1-4H3,(H,20,22)
InChIKeyUEIDWTBBDULSKI-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.18
Rot. Bonds5

About 3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine

3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine (PubChem CID 57392232) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine
PubChem CID57392232
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine
SMILESCOc1cc2nncc(-c3cnc(NC(C)C)c(Cl)c3)c2cc1OC
InChIInChI=1S/C18H19ClN4O2/c1-10(2)22-18-14(19)5-11(8-20-18)13-9-21-23-15-7-17(25-4)16(24-3)6-12(13)15/h5-10H,1-4H3,(H,20,22)
InChIKeyUEIDWTBBDULSKI-UHFFFAOYSA-N
XLogP4.18
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine (CID 57392232) is 3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine is COc1cc2nncc(-c3cnc(NC(C)C)c(Cl)c3)c2cc1OC.
What is the InChIKey of 3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is UEIDWTBBDULSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-10(2)22-18-14(19)5-11(8-20-18)13-9-21-23-15-7-17(25-4)16(24-3)6-12(13)15/h5-10H,1-4H3,(H,20,22).
What are the key properties of 3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine?
3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 358.83 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(6,7-dimethoxycinnolin-4-yl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 57392232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).