6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one

C12H16BrN3O — CID 167219968

IUPAC6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(C)(C)NC1Cc2cc(Br)cnc2NC1=O
InChIInChI=1S/C12H16BrN3O/c1-12(2,3)16-9-5-7-4-8(13)6-14-10(7)15-11(9)17/h4,6,9,16H,5H2,1-3H3,(H,14,15,17)
InChIKeyPPWRNKFERCBZKT-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.10
Rot. Bonds1

About 6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 167219968) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID167219968
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(C)(C)NC1Cc2cc(Br)cnc2NC1=O
InChIInChI=1S/C12H16BrN3O/c1-12(2,3)16-9-5-7-4-8(13)6-14-10(7)15-11(9)17/h4,6,9,16H,5H2,1-3H3,(H,14,15,17)
InChIKeyPPWRNKFERCBZKT-UHFFFAOYSA-N
XLogP2.10
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-(hydroxymethyl)-3,4-dihydro-1H-1,8-naphthyridin-2-one;methyl 6-bromo-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate
CID 157433547
6-bromo-3-methyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 22139127
6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;hydrochloride
CID 155892914
(3S)-6-bromo-3-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 51893478
(2-oxo-6-phenyl-3,4-dihydro-1H-1,8-naphthyridin-3-yl)carbamic acid
CID 91483987
CID 140659181
CID 140659181
(E)-3-(6-methoxycarbonyl-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoic acid;methyl 6-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-3-carboxylate
CID 159439532
6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one;tert-butyl (E)-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoate
CID 160986543
3-(6-methoxycarbonyl-7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enoic acid
CID 67154713
7-bromo-3,3-dimethyl-1,2,4,5-tetrahydropyrido[2,3-e][1,4]diazepine
CID 59332894
7-bromo-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carbaldehyde
CID 144843933
5-bromo-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;5-bromopyridine-2,3-diamine
CID 158300570

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 167219968) is 6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC(C)(C)NC1Cc2cc(Br)cnc2NC1=O.
What is the InChIKey of 6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is PPWRNKFERCBZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-12(2,3)16-9-5-7-4-8(13)6-14-10(7)15-11(9)17/h4,6,9,16H,5H2,1-3H3,(H,14,15,17).
What are the key properties of 6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 298.18 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(tert-butylamino)-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 167219968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).