7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one

C22H27N3O3 — CID 70437710

IUPAC7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one
SMILESCn1c(-c2ccc(OCC(O)CNC(C)(C)C)cc2)cc2ncccc2c1=O
InChIInChI=1S/C22H27N3O3/c1-22(2,3)24-13-16(26)14-28-17-9-7-15(8-10-17)20-12-19-18(6-5-11-23-19)21(27)25(20)4/h5-12,16,24,26H,13-14H2,1-4H3
InChIKeyOJHDTLPOCNVJAP-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.73
Rot. Bonds6

About 7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one

7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one (PubChem CID 70437710) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one
PubChem CID70437710
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one
SMILESCn1c(-c2ccc(OCC(O)CNC(C)(C)C)cc2)cc2ncccc2c1=O
InChIInChI=1S/C22H27N3O3/c1-22(2,3)24-13-16(26)14-28-17-9-7-15(8-10-17)20-12-19-18(6-5-11-23-19)21(27)25(20)4/h5-12,16,24,26H,13-14H2,1-4H3
InChIKeyOJHDTLPOCNVJAP-UHFFFAOYSA-N
XLogP2.73
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-2-methylisoquinolin-1-one
CID 86736532
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one;dihydrochloride
CID 20504701
3-[4-[3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-2-hydroxypropoxy]phenyl]-7-methoxy-2-methylisoquinolin-1-one
CID 169439438
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-methylchromen-4-one
CID 3033107
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
1-(tert-butylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 2769824
7-[3-(tert-butylamino)-2-hydroxypropoxy]-3-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]chromen-4-one
CID 141259927
(2R)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787572
(2S)-1-(tert-butylamino)-3-(4-ethylphenoxy)propan-2-ol
CID 787574
4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-N-ethylbenzamide
CID 129404987
1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one?
The IUPAC name of 7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one (CID 70437710) is 7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one.
What is the SMILES notation for 7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one?
The canonical SMILES for 7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one is Cn1c(-c2ccc(OCC(O)CNC(C)(C)C)cc2)cc2ncccc2c1=O.
What is the InChIKey of 7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one?
The InChIKey is OJHDTLPOCNVJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-22(2,3)24-13-16(26)14-28-17-9-7-15(8-10-17)20-12-19-18(6-5-11-23-19)21(27)25(20)4/h5-12,16,24,26H,13-14H2,1-4H3.
What are the key properties of 7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one?
7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one has a molecular weight of 381.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methyl-1,6-naphthyridin-5-one is sourced from PubChem (CID 70437710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).