1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

C14H19ClN4O — CID 154781770

IUPAC1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1ccc2cc(Cl)cnc2n1
InChIInChI=1S/C14H19ClN4O/c1-14(20,9-19(2)3)8-17-12-5-4-10-6-11(15)7-16-13(10)18-12/h4-7,20H,8-9H2,1-3H3,(H,16,17,18)
InChIKeyBBSFONNNXGTJCD-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.01
Rot. Bonds5

About 1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 154781770) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID154781770
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNc1ccc2cc(Cl)cnc2n1
InChIInChI=1S/C14H19ClN4O/c1-14(20,9-19(2)3)8-17-12-5-4-10-6-11(15)7-16-13(10)18-12/h4-7,20H,8-9H2,1-3H3,(H,16,17,18)
InChIKeyBBSFONNNXGTJCD-UHFFFAOYSA-N
XLogP2.01
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 154781770) is 1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNc1ccc2cc(Cl)cnc2n1.
What is the InChIKey of 1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is BBSFONNNXGTJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-14(20,9-19(2)3)8-17-12-5-4-10-6-11(15)7-16-13(10)18-12/h4-7,20H,8-9H2,1-3H3,(H,16,17,18).
What are the key properties of 1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 294.79 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-1,8-naphthyridin-2-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 154781770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).