(8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol

C14H15BrN2O — CID 82451326

IUPAC(8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
SMILESCN1CCc2nc3ccc(Br)cc3c(CO)c2C1
InChIInChI=1S/C14H15BrN2O/c1-17-5-4-14-11(7-17)12(8-18)10-6-9(15)2-3-13(10)16-14/h2-3,6,18H,4-5,7-8H2,1H3
InChIKeyYCMSMDRBCIXYCX-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.48
Rot. Bonds1

About (8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol

(8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol (PubChem CID 82451326) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is (8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol.

Molecular Properties

Compound Name(8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
PubChem CID82451326
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name(8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
SMILESCN1CCc2nc3ccc(Br)cc3c(CO)c2C1
InChIInChI=1S/C14H15BrN2O/c1-17-5-4-14-11(7-17)12(8-18)10-6-9(15)2-3-13(10)16-14/h2-3,6,18H,4-5,7-8H2,1H3
InChIKeyYCMSMDRBCIXYCX-UHFFFAOYSA-N
XLogP2.48
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(8-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
CID 82450491
(7-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451741
N-[(2,8-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methyl]propan-2-amine
CID 82450376
(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
CID 82449929
N-methyl-1-(2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82449912
2-(2,7,8-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetonitrile
CID 82451023
8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 110489469
7-bromo-2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 18072460
8-bromo-7-fluoro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 61357933
8-chloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82451391
(8-chloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)hydrazine
CID 15631971
8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82452021

Frequently Asked Questions

What is the IUPAC name of (8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol?
The IUPAC name of (8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol (CID 82451326) is (8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol.
What is the SMILES notation for (8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol?
The canonical SMILES for (8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol is CN1CCc2nc3ccc(Br)cc3c(CO)c2C1.
What is the InChIKey of (8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol?
The InChIKey is YCMSMDRBCIXYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-17-5-4-14-11(7-17)12(8-18)10-6-9(15)2-3-13(10)16-14/h2-3,6,18H,4-5,7-8H2,1H3.
What are the key properties of (8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol?
(8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol has a molecular weight of 307.19 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol is sourced from PubChem (CID 82451326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).